C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)fosforamidit] (ACI)
Nimewo Rejis CAS
251647-55-9
H302
Pwopriyete fizik kle yo | Valè | Kondisyon |
Pwa molekilè | 914.00 | - |
pKa (Prevwa) | 9.16±0.20 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
N#CCCOP(OC1C(OC(N2C=NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI = 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26- 57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-3 6(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
InChI kle
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Lòt Non pou sibstans sa a
Guanozin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-(2-metoksietil)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis (1- methylethyl) fosforamidit] (9CI); 17: PN: US20030212017 PAJ: 20 reklame sekans; 18: PN: US20030211606 PAJ: 20
sekans reklame; 19: PN: US20040005569 PAJ: 22 reklame sekans; 21: PN: US20040006030 PAJ: 23 reklame sekans; 21: PN: US20040014047 PAJ: 21 reklame sekans; 21: PN: US20040014049 PAJ: 21 reklame sekans; 22: PN: US20030198965 PAG
E: 20 reklame sekans; 22: PN: US20040005570 PAJ: 21 reklame sekans; 22: PN: US20040014048 PAJ: 21 reklame sekans;
22: PN: US20040014050 PAJ: 21 reklame sekans; 23: PN: US20040005565 PAJ: 17- 22 sekans reklame; 23: PN: US20040
014051 PAJ: 23 sekans reklame; 24: PN: US20040014699 PAJ: 21 reklame sekans; 25: PN: US20040006029 PAJ: 23 reklame sekans; 25: PN: WO03106645 PAJ: 73 sekans reklame; 96: PN: US20040005707 PAJ: 21 sekans reklame
Spectre ki disponib
13C RMN
Etero RMN
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
Pwopriyete | Valè | Kondisyon | Sous |
Faktè byokonsantrasyon | 121 | pH 1; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 2580 | pH 2; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 23500 | pH 3; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 71800 | pH 4; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 89800 | pH 5; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 92100 | pH 6; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 91300 | pH 7; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 82500 | pH 8; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 42200 | pH 9; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 7860 | 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 | 164 | pH 1; Tanperati: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Tanperati: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Tanperati: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Tanperati: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
Koc | 1.24 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Tanperati: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Tanperati: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Tanperati: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Tanperati: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Tanperati: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Tanperati: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Tanperati: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Tanperati: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Tanperati: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Tanperati: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Tanperati: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Tanperati: 25 °C | (1) ACD |
logP | 6.837±0.764 | Tanperati: 25 °C | (1) ACD |
Mass Intrinsèque Solibilite | 4.4 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
Solibilite mas | 0.34 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 0.016 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 1.7 x 10-3 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 5.7 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 4.6 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 4.4 x 10-4 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 4.5 x 10-4 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 4.9 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 1.0 x 10-3 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 5.2 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
Solibilite mas | 4.5 x 10-4 g/L | Dlo san tampon pH 6.99; Tanperati: 25 °C | (1) ACD |
Solibilite intrinsèque molè | 4.8 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
Solibilite molè | 3.7 x 10-4 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 1.7 x 10-5 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 1.9 x 10-6 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
Solibilite molè | 6.2 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 5.0 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 4.8 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 4.9 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 5.4 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 1.1 x 10-6 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 5.7 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
Solibilite molè | 4.9 x 10-7 mol/L | Dlo san tampon pH 6.99; Tanperati: 25 °C | (1) ACD |
Pwa molekilè | 914.00 | ||
pKa | 9.16±0.20 | 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 | 17 | (1) ACD | |
H Donatè | 2 | (1) ACD | |
H Sòm donatè/akseptè | 19 | (1) ACD | |
logP | 6.837±0.764 | Tanperati: 25 °C | (1) ACD |
Pwa molekilè | 914.00 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Pwopriyete | Valè | Sous Kondisyon |
Zòn Sifas Polè | 203 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 |