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C33H35N3O8 Cytidine, N-asetil-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O- methyl- (9CI, ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 601.65 | - |
| Dansite (prevwa) | 1.28 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 10.19 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1n = c (c = cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2oc) nc (= o) c
Isomerik souri C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = C = C (OC) C = C = C)
Inchi
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/m1/s1
Inchi kle
Finuhojildnelq-pmfucwtesa-n
1 lòt non pou sibstans sa a
N-asetil-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-methylcytidine (ACI)
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 8.87 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 27.8 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 171 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 515 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 650 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 668 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 668 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 657 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 560 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 229 | 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 | 48.6 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 152 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 935 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 2820 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 3560 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 3660 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 3660 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 3600 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 3070 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 1250 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 2.14 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 2.64 | pH 2; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 3.43 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 3.91 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 4.01 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 4.02 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 4.02 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 4.01 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 3.94 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 3.55 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 4.021 ± 0.768 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.3 x 10-3 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.10 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.032 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.2 x 10-3 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-3 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.4 x 10-3 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-3 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-3 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-3 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.6 x 10-3 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.9 x 10-3 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-3 g/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 2.2 x 10-6 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.3 x 10-5 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 8.6 x 10-6 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-6 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-6 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.2 x 10-6 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.2 x 10-6 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.2 x 10-6 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.6 x 10-6 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.4 x 10-6 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 2.2 x 10-6 mol/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 601.65 | ||
| pka | 10.19 ± 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)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.28 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 466.5 ± 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 | 11 | (1) ACD | |
| H akseptab | 11 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 601.65 |
(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 | 128 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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