![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ) phosphoramidite] (ACI) En Imaj](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ) fosforamidit] (ACI)
Nimewo Rejis CAS
251647-53-7
H302
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 932.01 | - |
| pKa (Prevwa) | 7.87±0.43 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
N#CCCOP(OC1C(OC(N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
Souri izomerik
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)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 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
adenozin,N-benzoyl-5′ -O- [bis(4-metoksifenil)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 reklame sekans; 17: PN: US20040005569 PAJ: 22 reklame sekans; 19: PN: US20040006030 PAJ: 23 reklame sekans; 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 reklame sekans; 21: PN: U
S20040005565 PAJ: 17- 22 sekans reklame; 21: PN: US20040014051 PAJ: 23 reklame sekans; 22: PN: US20040014699 PAJ: 20 reklame sekans; 23: PN: US20040006029 PAJ: 23 reklame sekans; 23: PN: WO03106645 PAJ: 73 sekans reklame; 94: P N: US20040005707 PAJ: 20 sekans reklame
Spectre ki disponib
1H RMN
13C RMN
Etero RMN
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 2680 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 71500 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 7.21 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 8.48 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.39 x 105 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 40300 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1360 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1.42 x 106 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 5.4 x 10-5 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.051 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.9 x 10-3 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.9 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 6.0 x 10-5 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.8 x 10-5 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.8 x 10-5 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-5 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.6 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.6 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.7 x 10-5 g/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 5.8 x 10-8 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.5 x 10-5 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.0 x 10-6 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 2.0 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 6.4 x 10-8 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.1 x 10-8 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.1 x 10-8 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 6.2 x 10-8 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.7 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.0 x 10-6 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.9 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 6.1 x 10-8 mol/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 932.01 | ||
| pKa | 7.87±0.43 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 22 | (1) ACD | |
| H Aseptè | 16 | (1) ACD | |
| H Donatè | 1 | (1) ACD | |
| H Sòm donatè/akseptè | 17 | (1) ACD | |
| logP | 8.803±0.766 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 932.01 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 187 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Sous Deklarasyon Danje Kòd | |
| H302 Danjre si vale | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Etikèt Envantè - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè Etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi grav |
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