C50H60N5O10p Cytidine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, N-N-) (2-methyhys (2-methyhym (2-Methyl) (2-Methyethyl N, 1-Methyl-, 3-, [2-cyanoethyl N, N-) (2-methyhys (2-Methyl, 3-Methyl) (2-Methyethyl N, 1-Methyl-, 3 ′-

produi

C50H60N5O10p Cytidine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, N-N-) (2-methyhys (2-methyhym (2-Methyl) (2-Methyethyl N, 1-Methyl-, 3-, [2-cyanoethyl N, N-) (2-methyhys (2-Methyl, 3-Methyl) (2-Methyethyl N, 1-Methyl-, 3 ′-

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

163759-94-2

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 922.01 -
PKA (prevwa) 8.59 ± 0.40 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal

N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = C = C (OC) C = C5) C) C (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) n2c (= o) n = c (nc (= o) c3 = cc = c = c = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

Inchi

Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-10-14-19-38,39-20-24-41-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-4-24-4-4- ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 57) 52-47 (56). 35,43-45,48h, 15,29-31,33h2,1-8h3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1

Inchi kle

Fligvmliidvdsn-gicdfoiusa-n

26 Lòt non pou sibstans sa a

Cytidine,N-Benzoyl -5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9CI); 12: PN: WO03084478 Paj: 57 reklame ADN; 14: PN: US20030170636 Paj: 17 reklame ADN; 15: PN: U

S20030211606 Paj: 19 reklame ADN; 15: PN: US20030212017 Paj: 19 reklame ADN; 16: PN: US20040005569 Paj: 22 reklame ADN; 17: PN: US20040006030 Paj: 23 reklame ADN; 17: PN: US20040014049 Paj: 20 reklame ADN; 18: PN: US20040014047 Pag E: 20 reklame ADN; 18: PN: US20040014048 Paj: 20 reklame ADN; 18: PN: US20040014050 Paj: 20 reklame ADN; 19: PN: U

S20030171313 Paj: 9 te deklare ADN; 19: PN: US20030198965 Paj: 20 reklame ADN; 19: PN: US20040005565 Paj: 17-2 22 reklame ADN; 19: PN: US20040005570 Paj: 20 reklame ADN; 19: PN: US20040014051 Paj: 22 reklame ADN; 20: PN: US20040014699 Pag

E: 20 reklame ADN; 21: PN: US20040006029 Paj: 23 reklame ADN; 21: PN: WO03106645 Paj: 72 reklame ADN; 61: PN: US20030

166592 Paj: 15 reklame ADN; 7: PN: WO2005006958 Paj: 62 reklame ADN; 84: PN: US20040171566 Paj: 18 reklame ADN; 92:

PN: US20040005707 Paj: 20 reklame ADN; 9: PN: WO2005007825 Paj: 62 reklame ADN;N4-benzoyl-2 ′-O-methoxyethyl-5-O-dimethoxytrityl-5-methylcytidine-3 ′ -fosforamidit;N4-benzoyl-2 ′-O-Methoxyethyl -5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′-amidite

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 171 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1250 pH 2; Tan: 25 ° C (1) ACD
Faktè bioconcentration 47600 pH 3; Tan: 25 ° C (1) ACD
Faktè bioconcentration 6.44 x 105 pH 4; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 pH 5; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 pH 6; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 pH 7; Tan: 25 ° C (1) ACD
Faktè bioconcentration 7.79 x 105 pH 8; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.63 x 105 pH 9; Tan: 25 ° C (1) ACD
Faktè bioconcentration 30800 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 106 Ph 1; Tan: 25 ° C (1) ACD
Ka 773 pH 2; Tan: 25 ° C (1) ACD
Ka 29500 pH 3; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Ka 3.99 x 105 pH 4; Tan: 25 ° C (1) ACD
Ka 8.02 x 105 pH 5; Tan: 25 ° C (1) ACD
Ka 8.70 x 105 pH 6; Tan: 25 ° C (1) ACD
Ka 8.16 x 105 pH 7; Tan: 25 ° C (1) ACD
Ka 4.83 x 105 pH 8; Tan: 25 ° C (1) ACD
Ka 1.01 x 105 pH 9; Tan: 25 ° C (1) ACD
Ka 19100 pH 10; Tan: 25 ° C (1) ACD
Logd 4.48 Ph 1; Tan: 25 ° C (1) ACD
Logd 5.34 pH 2; Tan: 25 ° C (1) ACD
Logd 6.92 pH 3; Tan: 25 ° C (1) ACD
Logd 8.06 pH 4; Tan: 25 ° C (1) ACD
Logd 8.36 pH 5; Tan: 25 ° C (1) ACD
Logd 8.39 pH 6; Tan: 25 ° C (1) ACD
Logd 8.37 pH 7; Tan: 25 ° C (1) ACD
Logd 8.14 pH 8; Tan: 25 ° C (1) ACD
Logd 7.46 pH 9; Tan: 25 ° C (1) ACD
Logd 6.73 pH 10; Tan: 25 ° C (1) ACD
logp 8.401 ± 0.723 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 1.4 x 10-4 g/l Tan: 25 ° C (1) ACD
Mas solubility 1.1 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 0.16 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 4.1 x 10-3 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 3.0 x 10-4 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 1.5 x 10-4 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 1.4 x 10-4 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 1.5 x 10-4 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 2.5 x 10-4 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 1.2 x 10-3 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 6.3 x 10-3 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 1.5 x 10-4 g/l PH dlo unbuffered 6.97; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 1.5 x 10-7 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 1.2 x 10-3 mol/l Ph 1; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Solubilite molè 1.7 x 10-4 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 4.4 x 10-6 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 3.2 x 10-7 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-7 mol/l pH 5; Tan: 25 ° C (1) ACD
Solubilite molè 1.5 x 10-7 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-7 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 2.7 x 10-7 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 1.3 x 10-6 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 6.8 x 10-6 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-7 mol/l PH dlo unbuffered 6.97; Tan: 25 ° C (1) ACD
Pwa molekilè 922.01    
pka 8.59 ± 0.40 Pifò asid tanperati: 25 ° C (1) ACD
pka 3.87 ± 0.20 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 15 (1) ACD
H donatè 1 (1) ACD
H donatè/aksepte sòm 16 (1) ACD
logp 8.401 ± 0.723 Tan: 25 ° C (1) ACD
Pwa molekilè 922.01

(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 176 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


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