![C42H52N5O9p cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′ -O- methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphoramid] (1-) (1-methylethyl) fosforamik (1-methylethyl).](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9p cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′ -O- methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphoramides (1-methylethyl) fosforamid (1-methylethyl) foshorames (1-methylethyl) felismik (1-methylethyl).](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9p cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′ -O- methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphoramid] (1-) (1-methylethyl) fosforamik (1-methylethyl).
Nimewo rejis CAS
199593-09-4
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 801.87 | - |
| PKA (prevwa) | 10.18 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
N#CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = C = C (OC) C = C5) N (C (C)
Souri izomèr
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c) c) c) c = C (OC) C = C4) C5 = CC = CC = C5
Inchi
INCHI = 1S/C42H52N5O9P/C1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8) 46-25-23-37 (44-30) -42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,( H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Inchi kle
Wnwumipfloktez-uaqipllrsa-n
1 lòt non pou sibstans sa a
Cytidine,N-acetyl -5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O-Metil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9CI)
Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 4.77 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 50.1 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2190 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 21700 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 35700 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 37800 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 37900 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 37300 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 31400 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 12300 | 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)
| Valè pwopriyete kondisyon sous |
| KOC 8.29 PH 1; Temp: 25 ° C (1) ACD |
| KOC 87.1 pH 2; Temp: 25 ° C (1) ACD |
| KOC 3800 PH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 PH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 pH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 PH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 PH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 pH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 pH 10; Temp: 25 ° C (1) ACD |
| Logd 2.43 pH 1; Temp: 25 ° C (1) ACD |
| Logd 3.45 pH 2; Temp: 25 ° C (1) ACD |
| Logd 5.09 pH 3; Temp: 25 ° C (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 6.09 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 6.30 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 6.33 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 6.33 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 6.32 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 6.25 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 5.84 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 6.329 ± 0.771 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.8 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.4 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.14 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.1 x 10-3 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.2 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.8 x 10-4 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.8 x 10-4 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.8 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.2 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.6 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.8 x 10-4 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 2.3 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.8 x 10-3 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.9 x 10-6 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.0 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.4 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-7 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-7 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.8 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.0 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-7 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Pwa molekilè | 801.87 | ||
| pka | 10.18 ± 0.20 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.57 ± 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)
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 18 | (1) ACD | |
| H akseptab | 14 | (1) ACD | |
| H donatè | 1 | (1) ACD | |
| H donatè/aksepte sòm | 15 | (1) ACD | |
| logp | 6.329 ± 0.771 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 801.87 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Sous kondisyon |
| Zòn sifas polè | 167 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
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1H NMR
13c NMR
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