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)
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 |
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
Spèktr ki disponib
13 C NMR
Etero nmr
Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò
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)
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)
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)
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)
Spèktr ki disponib
1 H NMR
13 C NMR
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 |