C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 371.35 | - |
| Punt tat-Tidwib (Sperimentali) | 152 °C | - |
| Densità (Imbassar) | 1.70±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr |
| pKa (Imbassar) | 7.87±0.43 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Tbissim iżomeriċi O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21- 16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26 )/t10-,12-,13-,17-/m1/s1
InChI Key
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Ismijiet Oħra għal din is-Sustanza
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Proprjetajiet disponibbli |
| Termali |
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-tidwib | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Proċedimenti - Akkademja tax-Xjenzi Indjana, Xjenzi Kimiċi, (1989), 101(5), 401-13, CAplus
Spettri disponibbli
1H NMR
13C NMR
Etero NMR
IR
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 1;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.83 | pH 2;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 2.56 | pH 3;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 2.67 | pH 4;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 2.68 | pH 5;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 2.65 | pH 6;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 2.37 | pH 7;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.16 | 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 | 12.6 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 0.12 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 0.70 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 0.85 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 0.86 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 0.87 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 0.86 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 0.81 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 0.50 | pH 8;Temp: 25 °C | (1) ACD |
| logD | -0.24 | pH 9;Temp: 25 °C | (1) ACD |
| logD | -0.89 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 0.037 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.22 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.056 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.041 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.041 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.037 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.041 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.045 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.089 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.48 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 2.2 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità tal-Massa | 0.041 g/L | Ilma mhux Buffered pH 5.93;Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 1.0 x 10-4 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 5.8 x 10-4 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-4 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.1 x 10-4 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.1 x 10-4 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.0 x 10-4 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.1 x 10-4 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.2 x 10-4 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.4 x 10-4 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.3 x 10-3 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 6.0 x 10-3 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.1 x 10-4 mol/L | Ilma mhux Buffered pH 5.93;Temp: 25 °C | (1) ACD |
| Piż Molekulari | 371.35 | ||
| pKa | 7.87±0.43 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | L-aktar Temperatura Bażika: 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 | 1.70±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr | (1) ACD |
| Volum Molari | 217.3±7.0 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 | 6 | (1) ACD | |
| H Aċċettaturi | 10 | (1) ACD | |
| H Donaturi | 4 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 14 | (1) ACD | |
| logP | 0.868±0.577 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 371.35 |
(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 | 143 A2 | (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 |
| H333 | Jista' jkun ta' ħsara jekk jittieħed man-nifs | Espert Curated |
| H303 | Jista' jkun ta' ħsara jekk jinbela' | Espert Curated |
| 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 |
Lista Regolatorja: REACH, TCSI
Informazzjoni Kunfidenzjali dwar in-Negozju: Pubbliku
| Sinonimi Regolatorji | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | REACH | - |
| N6-Benzoyladenosine | REACH | - |
Dettalji skond il-Pajjiż/Internazzjonali u Listi Oħra Informazzjoni dwar il-Pajjiż/Reġjun Disponibbli
Sommarju tal-Unjoni Ewropea
Status ta' Inventarju fuq Lista REACH ta' Sustanzi Reġistrati
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Numru tal-Lista Regolatorja Nru KE: 610-251-3
Tajwan Sommarju
Status tal-Inventarju fuq TCSI Tajwan Gvern Ga
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-metil-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-metoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
