![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-metoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Dehru Dehru Image](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-metoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 721.80 | - |
| Punt tat-Tidwib (Sperimentali) | 107-110 °C | - |
| Densità (Imbassar) | 1.26±0.1 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Imbassar) | 8.60±0.40 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
Tbissim iżomeriku
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI Key
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ismijiet Oħra għal din is-Sustanza
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-metoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 PAĠNA: 57 RNA mitluba; 12: PN: US20030170636 PAĠNA: 17 mitluba R NA; 13: PN: US20030212017 PAĠNA: 19 mitluba R NA; 14: PN: US20030
211606 PAĠNA: 19 mitluba R NA; 15: PN: US20040005569 PAĠNA: 22 mitluba R NA; 16: PN: US20040006030 PAĠNA: 22 mitluba R NA; 16: PN: US20040014048 PAĠNA: 20 mitluba R NA; 17: PN: US20030171313 PAĠNA: 9 mitluba R NA; 17: PN: US20040005565 PAĠNA: 17- 22 RNA mitluba; 17: PN: US20040005570 PAĠNA: 20 mitluba R NA; 17: PN: US20040014047 PAĠNA: 20 mitluba R NA; 17: PN: US20040 014050 PAĠNA: 20 mitluba R NA; 18: PN: US20030198965 PAĠNA: 19 mitluba R NA; 18: PN: US20040014699 PAĠNA: 20 mitluba R NA; 19: PN: US20040006029 PAĠNA: 23 mitluba R NA; 19: PN: WO03106645 PAĠNA: 71 mitluba R NA; 59: PN: US20030166592 PAĠNA: 15 mitluba RNA; 6: PN: WO2005006958 PAĠNA: 62 mitluba R NA; 83: PN: US20040171566 PAĠNA: 18 mitluba R NA; 8: PN: WO2005007825
PAĠNA: 62 mitluba R NA; 90: PN: US20040005707 PAĠNA: 20 mitluba R NA; N4-Benzoyl-2′-O-metossietil-5′-O-dimetossitritil-5-
metilċitidina
| Proprjetajiet disponibbli |
| Termali |
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-tidwib | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosidi, Nukleotidi u Aċidi Nukleiċi, (2018), 37(4), 232-247, CAplus
Spettri disponibbli
1H NMR
13C NMR
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 291 | pH 1; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 644 | pH 2; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 3690 | pH 3; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 15600 | pH 4; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 23700 | pH 5; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 24800 | pH 6; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 23300 | pH 7; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 14100 | pH 8; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 3010 | pH 9; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 558 | 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 | 569 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 1.3 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.011 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 5.0 x 10-3 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 8.7 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 2.1 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità tal-Massa | 1.4 x 10-4 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-4 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-4 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 2.3 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.1 x 10-3 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-3 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-4 g/L | Ilma mhux Buffered pH 6.97; Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 1.8 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-5 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 6.9 x 10-6 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.2 x 10-6 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.9 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.9 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.8 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.9 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 3.2 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-6 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 8.0 x 10-6 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.9 x 10-7 mol/L | Ilma mhux Buffered pH 6.97; Temp: 25 °C | (1) ACD |
| Piż Molekulari | 721.80 | ||
| pKa | 8.60±0.40 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | 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 | 1.26±0.1 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Volum Molari | 572.5±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 | 15 | (1) ACD | |
| Proprjetà | Valur | Kundizzjoni | Sors |
| H Aċċettaturi | 12 | (1) ACD | |
| H Donaturi | 2 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 14 | (1) ACD | |
| logP | 6.093±0.720 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 721.80 |
(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 | 137 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 |
| H335 | Jista' jikkawża irritazzjoni respiratorja | 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 |
| 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 |
| H315 | Jikkawża irritazzjoni tal-ġilda | 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 |
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