![C47H51FN7O7P adenosine, N-Benzoyl-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)
![C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-2-cyanoethyl N, N-BIS (1-methyleth)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-deoxy-2 ′ -fluoro-, 3 ′-2-cyanoethyl N, N-BIS (1-methyleth)
Nimewo rejis CAS
136834-22-5
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 875.92 | - |
| PKA (prevwa) | 7.87 ± 0.43 | 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 = NC = 6C (= NC = NC65) NC (= O) C = 7C)
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 = 3c (n = c2) = c (nc (= o) c4 = c = c = c4) n = c3) (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
InChI= 1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(50-29-51-44(41)54)53-45(56 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 25-21-36/h7-12-2-20-29-29-6) 2,46H, 13,27-28h2,1-6H3, (H, 50,51,53,56)/T39-, 40-, 42-, 46-, 63?/M1/S1
Inchi kle
Vccmvpdslhfcbb-msirfhfksa-n
1 lòt non pou sibstans sa a
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) fenilmetil] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosfò amidite] (9CI)
Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 6590 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.76 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 3.43 x 105 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 99100 | 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 2590 Ph 1; Temp: 25 ° C (1) ACD |
| KOC 69100 PH 2; Temp: 25 ° C (1) ACD |
| KOC 6.96 x 105 pH 3; Temp: 25 ° C (1) ACD |
| KOC 2.16 x 106 pH 4; Temp: 25 ° C (1) ACD |
| KOC 2.70 x 106 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2.71 x 106 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2.23 x 106 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8.20 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.35 x 105 pH 9; Temp: 25 ° C (1) ACD |
| KOC 39000 PH 10; Temp: 25 ° C (1) ACD |
| Logd 6.29 pH 1; Temp: 25 ° C (1) ACD |
| Logd 7.71 pH 2; Temp: 25 ° C (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 8.71 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 9.20 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 9.30 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 9.30 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 9.22 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 8.79 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 8.00 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 7.46 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 9.317 ± 0.714 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 3.4 x 10-6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.6 x 10-3 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-4 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-5 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.3 x 10-6 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.4 x 10-6 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.4 x 10-6 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.1 x 10-6 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.1 x 10-5 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 6.9 x 10-5 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.5 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.1 x 10-6 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 3.9 x 10-9 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.1 x 10-6 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-7 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-8 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.9 x 10-9 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.9 x 10-9 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.9 x 10-9 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.7 x 10-9 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-8 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.9 x 10-8 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.8 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 4.7 x 10-9 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 875.92 | ||
| pka | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.45 ± 0.70 | 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 | 9.317 ± 0.714 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 875.92 |
(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 | 169 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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