![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)fosforamidit] (ACI) En Imaj](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)fosforamidit] (ACI)
Nimewo Rejis CAS
104992-55-4
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 988.19 | - |
| 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)C1O[Si](C)(C)C(C)(C)C )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](O[Si](C) (C)(C)C)(C)C)[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/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-) 17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59 -35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1
InChI kle
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Lòt Non pou sibstans sa a
adenozin,N-benzoyl-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- [(1,1-dimethylethyl)dimethylsilil]-, 3′ - [2-cyanoethyl bis (1-methylethyl)phosphoramidite] (9CI)
Spectre ki disponib
Mass
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 5.50 x 105 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | 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 | 1.00 x 106 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | 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 | 61500 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 9.24 x 105 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 1.2 x 10-5 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.5 x 10-3 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-4 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.9 x 10-6 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.4 x 10-6 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.7 x 10-6 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.7 x 10-6 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.2 x 10-6 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.9 x 10-6 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 6.3 x 10-5 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.2 x 10-6 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 1.2 x 10-8 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.5 x 10-6 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.0 x 10-8 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.4 x 10-9 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.7 x 10-9 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.7 x 10-9 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.2 x 10-9 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 9.0 x 10-9 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 6.4 x 10-8 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 4.2 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.2 x 10-9 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 988.19 | ||
| 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 | 21 | (1) ACD | |
| H Aseptè | 15 | (1) ACD | |
| H Donatè | 1 | (1) ACD | |
| H Sòm donatè/akseptè | 16 | (1) ACD | |
| logP | 11.845±0.715 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 988.19 |
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 178 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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