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)phosphoramidite] (ACI)

produi

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)phosphoramidite] (ACI)

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

251647-55-9

H302

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 914.00 -
PKA (prevwa) 9.16 ± 0.20 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal

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 = C (C (C (OC) 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) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) (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 (64-6-5 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-11-10-12-15-33,34-16-20-36 (58-8) 21-17-34) 35-18-22-37 (59-9) 23-19-35/h10-12-22-37 (59-9) , 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

Guanosine, 5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1- methylethyl) fosforamidit] (9CI); 17: PN: US20030212017 Paj: 20 sekans reklame; 18: PN: US20030211606 Paj: 20

reklame sekans; 19: PN: US20040005569 Paj: 22 sekans reklame; 21: PN: US20040006030 Paj: 23 sekans reklame; 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 Sekans reklame; 22: PN: US20040014048 Paj: 21 reklame sekans;

22: PN: US20040014050 Paj: 21 sekans reklame; 23: PN: US20040005565 Paj: 17-2 22 sekans reklame; 23: PN: US20040

014051 Paj: 23 sekans reklame; 24: PN: US20040014699 Paj: 21 reklame sekans; 25: PN: US20040006029 Paj: 23 sekans reklame; 25: PN: WO03106645 Paj: 73 reklame sekans; 96: PN: US20040005707 Paj: 21 sekans reklame

Espèk eksperimantal

Spèktr ki disponib
13 C NMR
Etero nmr

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 121 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 2580 pH 2; Tan: 25 ° C (1) ACD
Faktè bioconcentration 23500 pH 3; Tan: 25 ° C (1) ACD
Faktè bioconcentration 71800 pH 4; Tan: 25 ° C (1) ACD
Faktè bioconcentration 89800 pH 5; Tan: 25 ° C (1) ACD
Faktè bioconcentration 92100 pH 6; Tan: 25 ° C (1) ACD
Faktè bioconcentration 91300 pH 7; Tan: 25 ° C (1) ACD
Faktè bioconcentration 82500 pH 8; Tan: 25 ° C (1) ACD
Faktè bioconcentration 42200 pH 9; Tan: 25 ° C (1) ACD
Faktè bioconcentration 7860 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)

Chimik

Posesyon Valè Kondisyon Sous
Ka 164 Ph 1; Tan: 25 ° C (1) ACD
Ka 3480 pH 2; Tan: 25 ° C (1) ACD
Ka 31700 pH 3; Tan: 25 ° C (1) ACD
Ka 96900 pH 4; Tan: 25 ° C (1) ACD
Ka 1.21 x 105 pH 5; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Ka 1.24 x 105 pH 6; Tan: 25 ° C (1) ACD
Ka 1.23 x 105 pH 7; Tan: 25 ° C (1) ACD
Ka 1.11 x 105 pH 8; Tan: 25 ° C (1) ACD
Ka 56900 pH 9; Tan: 25 ° C (1) ACD
Ka 10600 pH 10; Tan: 25 ° C (1) ACD
Logd 3.95 Ph 1; Tan: 25 ° C (1) ACD
Logd 5.28 pH 2; Tan: 25 ° C (1) ACD
Logd 6.24 pH 3; Tan: 25 ° C (1) ACD
Logd 6.73 pH 4; Tan: 25 ° C (1) ACD
Logd 6.82 pH 5; Tan: 25 ° C (1) ACD
Logd 6.83 pH 6; Tan: 25 ° C (1) ACD
Logd 6.83 pH 7; Tan: 25 ° C (1) ACD
Logd 6.79 pH 8; Tan: 25 ° C (1) ACD
Logd 6.50 pH 9; Tan: 25 ° C (1) ACD
Logd 5.77 pH 10; Tan: 25 ° C (1) ACD
logp 6.837 ± 0.764 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 4.4 x 10-4 g/l Tan: 25 ° C (1) ACD
Mas solubility 0.34 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 0.016 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 1.7 x 10-3 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 5.7 x 10-4 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 4.6 x 10-4 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 4.4 x 10-4 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 4.5 x 10-4 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 4.9 x 10-4 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 1.0 x 10-3 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 5.2 x 10-3 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 4.5 x 10-4 g/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 4.8 x 10-7 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 3.7 x 10-4 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 1.7 x 10-5 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 1.9 x 10-6 mol/l pH 3; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Solubilite molè 6.2 x 10-7 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 5.0 x 10-7 mol/l pH 5; Tan: 25 ° C (1) ACD
Solubilite molè 4.8 x 10-7 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 4.9 x 10-7 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 5.4 x 10-7 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 1.1 x 10-6 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 5.7 x 10-6 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 4.9 x 10-7 mol/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Pwa molekilè 914.00    
pka 9.16 ± 0.20 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)

Lipinski

Posesyon Valè Kondisyon Sous
Lib lib wotasyon 22   (1) ACD
H akseptab 17   (1) ACD
H donatè 2   (1) ACD
H donatè/aksepte sòm 19   (1) ACD
logp 6.837 ± 0.764 Tan: 25 ° C (1) ACD
Pwa molekilè 914.00    

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)

Estrikti ki gen rapò

Posesyon Valè Sous kondisyon
Zòn sifas polè 203 A2 (1) ACD

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)

Prevwa spèktr

Spèktr ki disponib
1 H NMR
13 C NMR

Deklarasyon danje GHS

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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