![C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-methyl- (9c mwen, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-methyl- (9c mwen, ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 560.60 | - |
| Dansite (prevwa) | 1.35 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 9.39 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1c = cn (c (= o) n1) C2OC (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) C2OC
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = C = C = C5
Inchi
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35h, 19h2,1-3h3, (H, 32,34,36)/T25-, 27-, 28-, 29-/m1/s1
Inchi kle
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 Lòt non pou sibstans sa a
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-methyluridine (ACI); 5′-O- (4,4′-dimethoxytrityl) -2′-O-methyluridine
Spèktr ki disponib
1H NMR
Mas
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1240 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1240 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1240 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1240 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1240 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1240 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1230 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1190 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 861 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 238 | 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 | 5690 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 5690 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 5690 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 5690 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 5690 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 5690 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 5670 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 5450 | pH 8; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 3960 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 1100 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 4.37 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 4.35 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 4.21 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 3.66 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 4.372 ± 0.582 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 3.7 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.8 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.3 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 x 10-3 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-4 g/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 6.6 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 6.6 x 10-7 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.8 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 9.4 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.4 x 10-6 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.6 x 10-7 mol/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 560.60 | ||
| pka | 9.39 ± 0.10 | Pifò asid 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 | 1.35 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 412.9 ± 5.0 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 | 10 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 12 | (1) ACD | |
| logp | 4.372 ± 0.582 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 560.60 |
(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 | 116 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
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