![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, Immaġni Dehru H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 263.25 | - |
| Punt tat-Tidwib (Sperimentali) | 177.1-178.3 °C | - |
| Punt tat-Togħlija (Imbassar) | 666.6±55.0 °C | Press: 760 Torr |
| Densità (Imbassar) | 1.50±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr |
| pKa (Imbassar) | 11.20±0.20 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Tbissim iżomeriċi C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChI Key
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Ismijiet Oħra għal din is-Sustanza
(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione (ACI);1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S)- (ZCI);(4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)trione;(4S)-4-Etil-4-
idrossi-7,8-diidro-1H-pirano[3,4-f]indolizine-3,6,10-trione;(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Proprjetajiet disponibbli |
| Ottiċi u Tixrid |
| Termali |
Ottiċi u Tixrid
| Proprjetà | Valur | Kundizzjoni | Sors |
| Qawwa Rotatorja Ottika | +120.6 grad | c: 0.62 g/100mL;Solvent: Kloroform | (1) IC |
| Qawwa Rotatorja Ottika | +120.57 grad | c: 0.62 g/100mL;Solvent: Kloroform;Temp: 20 °C | (2) IC |
| Qawwa Rotatorja Ottika | +119.57 grad | c: 1.0 g/100mL;Solvent: Kloroform;λ: 589.3 nm;Temp: 25 °C | (3) CAS |
| Qawwa Rotatorja Ottika | +119.57 gradi·mL/g·dm | c: 1.0 g/100mL;Solvent: Kloroform;λ: Linja D tas-sodju;Temp: 25 °C | (4) CAS |
| Qawwa Rotatorja Ottika | +117.6 grad | c: 0.56 g/100mL;Solvent: Kloroform;Temp: 23 °C | (5) IC |
| Qawwa Rotatorja Ottika | +116.14 gradi·mL/g·dm | c: 1.0 g/100mL;Solvent: Kloroform;λ: Linja D tas-sodju;Temp: 26 °C | (4) CAS |
| Qawwa Rotatorja Ottika | +96 grad | c: 0.40 g/100mL;Temp: 21 °C | (6) IC |
| Qawwa Rotatorja Ottika | +77.8 grad | c: 0.62 g/100mL;Solvent: Kloroform;λ: 589.3 nm;Temp: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi;Bullettin Kimika u Farmaċewtika, (1989), 37(12), 3382-5, CAplus
(2) Tagawa, Hiroaki;EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.;Ġurnal tal-Kimika Organika, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya;Kimika - Ġurnal Asjatiku, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio;Ġurnal tas-Soċjetà Kimika, Transazzjonijiet Perkin 1: Kimika Organika u Bio-Organika (1972-1999), (1990)(1), 27-31, CAplus
(6) Wani, Mansukh C.;Ġurnal tal-Kimika Mediċinali, (1987), 30(12), 2317-19, CAplus
(7) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Termali
| Proprjetà | Valur | Kundizzjoni | Sors | |
| Punt tat-tidwib | 183-185 °C (decomp) | (1) CAS | ||
| Punt tat-tidwib | 177.1-178.3 °C | (2) CAS | ||
| Punt tat-tidwib | 176-177 °C (decomp) | (3) IC | ||
| Punt tat-tidwib | 169-170 °C | Solvent: | Aċetat etiliku | (4) IC |
(1) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
(2) Henegar, Kevin E.;Ġurnal tal-Kimika Organika, (1997), 62(19), 6588-6597, CAplus
(3) Ejima, Akio;Ġurnal tas-Soċjetà Kimika, Transazzjonijiet Perkin 1: Kimika Organika u Bio-Organika (1972-1999), (1990)(1), 27-31, CAplus
(4) Wani, Mansukh C.;Ġurnal tal-Kimika Mediċinali, (1987), 30(12), 2317-19, CAplus
Spettri disponibbli
1H NMR
Quddiesa
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
| Termali |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 1;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 2;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 3;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 4;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 5;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.37 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7;Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.37 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 1;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 2;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 3;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 4;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 5;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 6;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 7;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 8;Temp: 25 °C | (1) ACD |
| logD | -0.94 | pH 9;Temp: 25 °C | (1) ACD |
| logD | -0.96 | pH 10;Temp: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 371 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 392 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 371 g/L | Ilma mhux Buffered pH 5.53;Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 1.41 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.41 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.41 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.41 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.41 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.41 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors | |
| Solubilità Molari | 1.41 mol/L | pH 6;Temp: 25 °C | (1) ACD | |
| Solubilità Molari | 1.41 mol/L | pH 7;Temp: 25 °C | (1) ACD | |
| Solubilità Molari | 1.41 mol/L | pH 8;Temp: 25 °C | (1) ACD | |
| Solubilità Molari | 1.41 mol/L | pH 9;Temp: 25 °C | (1) ACD | |
| Solubilità Molari | 1.49 mol/L | pH 10;Temp: 25 °C | (1) ACD | |
| Solubilità Molari | 1.41 mol/L | Ilma mhux Buffered pH 5.53;Temp: 25 °C | (1) ACD | |
| Piż Molekulari | 263.25 | |||
| pKa | 11.20±0.20 | L-aktar Temp Aċidiku: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | L-aktar Temperatura Bażika: 25 °C | (1) ACD | |
| Pressjoni tal-Fwar | 1.29 x 10-20 | Torr | Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.50±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr | (1) ACD |
| Volum Molari | 174.8±5.0 cm3/mol | Temp: 20 °C;Press: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li Jduru Liberament | 2 | (1) ACD | |
| H Aċċettaturi | 6 | (1) ACD | |
| H Donaturi | 1 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 7 | (1) ACD | |
| logP | -0.936±0.842 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 263.25 |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struttura Relatati
| Proprjetà | Valur | Kundizzjoni | Sors |
| Żona tal-wiċċ Polari | 83.9 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-Togħlija | 666.6±55.0 °C | Press: 760 Torr | (1) ACD |
| Entalpija ta' Vaporizzazzjoni | 112.17±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 357.0±31.5 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spettri disponibbli
1H NMR
13C NMR
| Kodiċi | Dikjarazzjoni ta' Periklu | Sors |
| H319 | Jikkawża irritazzjoni serja tal-għajnejn | Inventarju ta' Klassifikazzjoni u Tikkettjar tal-Aġenzija Ewropea tal-Kimika (ECHA) - Klassifikazzjoni u tikkettar notifikati - l-aktar notifiki komuni, Inventarju ta' Klassifikazzjoni u Tikkettjar tal-Aġenzija Ewropea tal-Kimika (ECHA) - Klassifikazzjoni u tikkettar notifikati - notifiki l-aktar serji |
| H302 | Jagħmel ħsara jekk jinbela' | Inventarju ta' Klassifikazzjoni u Tikkettjar tal-Aġenzija Ewropea tal-Kimika (ECHA) - Klassifikazzjoni u tikkettar notifikati - l-aktar notifiki komuni, Inventarju ta' Klassifikazzjoni u Tikkettjar tal-Aġenzija Ewropea tal-Kimika (ECHA) - Klassifikazzjoni u tikkettar notifikati - notifiki l-aktar serji |
Informazzjoni Kunfidenzjali dwar in-Negozju: Pubbliku
| Sinonimi Regolatorji | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Franċiż |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Franċiż |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Daniż, Ġermaniż |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Olandiż |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Daniż, Ġermaniż |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Olandiż |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Portugiż, Spanjol |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Portugiż, Spanjol |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Taljan |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Taljan |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Svediż |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Svediż |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Finlandiż |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finlandiż |
Dettalji skond il-Pajjiż/Listi Internazzjonali u Oħrajn
Kodiċi tat-Tariffa Armonizzata: 293499 Informazzjoni dwar il-Pajjiż/Reġjun Disponibbli
Sommarju tal-Unjoni Ewropea
Bnadar tal-UE
Kodiċi Doganali tal-UE NM : 29349990
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