![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-Methoxyethyl) -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 Feat-H315, H315 Feat, H315, H315 Feat- (9CI, ACI) H335, H319, H315 PREAT-H315, H315, H315 PREAT-H315, H315, H315 FEACE (9CI, ACI) H335, H319, H315 PREAT-H315, H315, H315 PRAN](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-Methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315-
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 721.80 | - |
| Pwen k ap fonn (eksperimantal) | 107-110 ° C | - |
| Dansite (prevwa) | 1.26 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 8.60 ± 0.40 | Pifò asid tanperati: 25 ° C |
Souri kanonyal 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) c3OC)
Souri izomèr
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) (C = C = C = C (OC) C = C4) (C5 = C = C (C)
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 kle
Byscluaikfefah-lzurgkrnsa-n
23 lòt non pou sibstans sa a
N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Paj: 57 te deklare RNA; 12: PN: US20030170636 Paj: 17 te deklare R Na; 13: PN: US20030212017 Paj: 19 reklame R Na; 14: PN: US20030
211606 Paj: 19 reklame R Na; 15: PN: US20040005569 Paj: 22 reklame R NA; 16: PN: US20040006030 Paj: 22 reklame R NA; 16: PN: US20040014048 Paj: 20 reklame R Na; 17: PN: US20030171313 Paj: 9 reklame R Na; 17: PN: US20040005565 Paj: 17-2 22 reklame RNA; 17: PN: US20040005570 Paj: 20 reklame R NA; 17: PN: US20040014047 Paj: 20 reklame R Na; 17: PN: US20040 014050 Paj: 20 reklame R NA; 18: PN: US20030198965 Paj: 19 reklame R Na; 18: PN: US20040014699 Paj: 20 reklame R Na; 19: PN: US20040006029 Paj: 23 reklame R NA; 19: PN: WO03106645 Paj: 71 reklame R Na; 59: PN: US20030166592 Paj: 15 reklame RNA; 6: PN: WO2005006958 Paj: 62 reklame R Na; 83: PN: US20040171566 Paj: 18 te deklare R Na; 8: PN: WO2005007825
Paj: 62 te deklare R Na; 90: PN: US20040005707 Paj: 20 reklame R NA; N4-Benzoyl-2′-O-Methoxyethyl-5′-O-Dimethoxytrityl-5-
methylcytidine
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 107-110 ° C | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Caplus
Spèktr ki disponib
1H NMR
13c NMR
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 291 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 644 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 3690 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 15600 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 23700 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 24800 | pH 6; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 23300 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 14100 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 3010 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 558 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 569 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1260 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 7210 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 30400 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 46300 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 48500 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 45500 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 27500 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 5890 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 1090 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 4.16 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 4.50 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 5.26 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 5.88 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 6.07 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 6.09 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 6.06 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 5.84 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 5.17 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 4.44 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 6.093 ± 0.720 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.3 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.011 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.0 x 10-3 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 8.7 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.1 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Mas solubility | 1.4 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-4 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.4 x 10-4 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.3 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.1 x 10-3 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.8 x 10-3 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.4 x 10-4 g/l | PH dlo unbuffered 6.97; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.8 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-5 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.9 x 10-6 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.2 x 10-6 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.9 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.8 x 10-7 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.9 x 10-7 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.2 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-6 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 8.0 x 10-6 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.9 x 10-7 mol/l | PH dlo unbuffered 6.97; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 721.80 | ||
| pka | 8.60 ± 0.40 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.87 ± 0.20 | Pifò debaz tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.26 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 572.5 ± 7.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 15 | (1) ACD | |
| Posesyon | Valè | Kondisyon | Sous |
| H akseptab | 12 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 14 | (1) ACD | |
| logp | 6.093 ± 0.720 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 721.80 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 137 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
| Kòd | Deklarasyon danje | Sous |
| H335 | Ka lakòz iritasyon respiratwa | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H319 | Lakòz iritasyon je grav | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H315 | Lakòz iritasyon po | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
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