![C41H49FN5O8P cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-2-cyanoethyl N, N-Bis (1-methyleth)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8p cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-2-cyanoethyl N, N-Bis (1-methyleth)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P cytidine, N-asetil-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-2-cyanoethyl N, N-Bis (1-methyleth)
Nimewo rejis CAS
159414-99-0
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 789.83 | - |
| PKA (prevwa) | 10.11 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = CC (= NC5 = O) NC (= O) C) N (C (C) C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C
Souri izomèr
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c) c) c (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C41H49FN5O8P/C1-27 (2) 47 (28 (3) 4) 56 (53-25-11-23-43) 55-38-35 (54-39 (37 (38) 42) 46-24-22-36 (44-29) 41 (30-12-9-2 44,45,48,49)/T35-, 37-, 38-, 39-, 56?/M1/S1
Inchi kle
Cnfkjhkdsrxnfl-utxremqhsa-n
1 lòt non pou sibstans sa a
Cytidine,N-acetyl -5 ′ -O-[bis (4-methoxyphenyl) fenilmetil] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosfò amidite] (9CI)
Spèktr ki disponib
Mas
Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 8.60 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 90.3 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 3940 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 39100 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 64300 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 68100 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 68300 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 66800 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 54300 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 19200 | 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)
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 12.6 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 133 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 5790 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 57400 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 94500 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 1.00 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1.00 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 98200 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 79700 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 28200 | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 2.76 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 3.79 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 5.43 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 6.42 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 6.64 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 6.66 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 6.66 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 6.65 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 6.56 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 6.11 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 6.666 ± 0.764 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 4.5 x 10-5 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.36 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.035 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.90 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.9 x 10-5 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.8 x 10-5 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.6 x 10-5 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.6 x 10-5 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-5 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.7 x 10-5 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.6 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.6 x 10-5 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 5.7 x 10-8 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.6 x 10-4 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.4 x 10-5 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.00 x 10-6 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.0 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.1 x 10-8 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.8 x 10-8 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.8 x 10-8 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.9 x 10-8 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 7.2 x 10-8 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.0 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.8 x 10-8 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 789.83 | ||
| pka | 10.11 ± 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 | Sous kondisyon |
| Zòn sifas polè | 158 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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