![C50H58N7O9P adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-O- (2-metoxyethyl)-, 3 ′-2-Cyanoethyl N, N-Bis (1-methylethyl) phyloyam N, N-Bis (1-methyleth)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9p adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-O- (2-metoxyethyl)-, 3 ′-2-cyanoethyl N, N-Bis (1-methylethyl)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-O- (2-metoxyethyl)-, 3 ′-2-Cyanoethyl N, N-Bis (1-methylethyl) phyloyam N, N-Bis (1-methyleth)
Nimewo rejis CAS
251647-53-7
H302
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 932.01 | - |
| PKA (prevwa) | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OCCOC) COC (C = 5C = CC = CC5) (C6 = C = C (OC) C = C6) C7 = C (C) OC) OC) C (C) C (C = C) C (C = C) C = C (C = C (C = C = C (C = C = C (C = C = C (C = C = C (C = C (C = C = C (C = C (C = C (C = C (C = C (C = C = C (C = C = C (C = C = C (C = 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](OCCOC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 = Cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (43) 56). 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58)/T42-, 44-, 45-, 49-, 67?/M1/S1
Inchi kle
Vpbybqbhlyrlhg-hdmawcrfsa-n
16 lòt non pou sibstans sa a
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O-(2-methoxyethyl)-, 3 ′-[2-cyanoethyl bis (1-methylethyl)
fosforamidit] (9CI); 16: PN: US20030211606 Paj: 19 reklame sekans; 16: PN: US20030212017 Paj: 20 sekans reklame; 17: PN: US20040005569 Paj: 22 sekans reklame; 19: PN: US20040006030 Paj: 23 sekans reklame; 19: PN: US20040014047
Paj: 21 reklame sekans; 19: PN: US20040014049 Paj: 21 reklame sekans; 20: PN: US20040005570 Paj: 20 reklame
sekans; 20: PN: US20040014048 Paj: 21 reklame sekans; 20: PN: US20040014050 Paj: 20 sekans reklame; 21: PN: U
S20040005565 Paj: 17-2 22 Sekans reklame; 21: PN: US20040014051 Paj: 23 sekans reklame; 22: PN: US20040014699 Paj: 20 sekans reklame; 23: PN: US20040006029 Paj: 23 sekans reklame; 23: PN: WO03106645 Paj: 73 Sekans reklame; 94: P N: US20040005707 Paj: 20 sekans reklame
Spèktr ki disponib
1 H NMR
13 C NMR
Etero nmr
Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 2680 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 71500 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.39 x 105 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 40300 | 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 | 1360 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 36300 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 3.66 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 1.13 x 106 | pH 4; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 1.42 x 106 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 1.42 x 106 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1.17 x 106 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 4.30 x 105 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 70800 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 20500 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 5.77 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 7.20 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 8.20 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 8.69 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 8.79 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 8.79 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 8.71 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 8.27 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 7.49 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 6.95 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 8.803 ± 0.766 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 5.4 x 10-5 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.051 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 x 10-3 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 6.0 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 | 4.8 x 10-5 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.8 x 10-5 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.6 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.6 x 10-3 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.7 x 10-5 g/l | PH dlo unbuffered 6.97; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 5.8 x 10-8 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.5 x 10-5 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.0 x 10-6 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 2.0 x 10-7 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.4 x 10-8 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.1 x 10-8 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.1 x 10-8 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.2 x 10-8 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.0 x 10-6 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.9 x 10-6 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 6.1 x 10-8 mol/l | PH dlo unbuffered 6.97; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 932.01 | ||
| 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 | 22 | (1) ACD | |
| H akseptab | 16 | (1) ACD | |
| H donatè | 1 | (1) ACD | |
| H donatè/aksepte sòm | 17 | (1) ACD | |
| logp | 8.803 ± 0.766 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 932.01 |
(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 | 187 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1 H NMR
13 C NMR
| Kòd Deklarasyon Sous Deklarasyon | |
| H302 danjere si vale | Ewopeyen Ajans Chimik (ECHA) Klasifikasyon & Etikèt Envantè - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ajans Chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi grav |
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