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)

pwodwi

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)

Enfòmasyon de baz:


Pwodwi detay

Tags pwodwi

Detay Sibstans

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

Lòt Non ak Idantifyan

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 eksperimantal

Spectre ki disponib
13C RMN
Etero RMN

Pwopriyete Prevwa

Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò

Byolojik

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)

Chimik

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)

Lipinski

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)

Estrikti ki gen rapò

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 prevwa

Spectre ki disponib
1H RMN
13C RMN

Deklarasyon danje GHS

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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