C48H54N7O8p adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) Phosphor]] fosphor] fosphor].

produi

C48H54N7O8p adenosine, N-Benzoyl-5 ′ -O- [bis (4-methoxyphenyl) fenilmetil] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) Phosphor]] fosphor] fosphor].

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 887.96 -
PKA (prevwa) 7.87 ± 0.43 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal

N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OC) COC (C = 5C = CC = CC5) (C6 = C = C (OC) C = C6) C7 = C (C)

Souri izomèr

C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (O1) N2C = 3C (n = c2) = c (nc (= o) c4 = cc = c = c4) n = c3) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

Inchi = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 59-7) 54-31-52-41-44 (50-7-7) 54-31-52-41-44 (42-7-7) 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-39 (58-6) 2-43,47H, 14,28-29h2,1-7H3, (H, 50,51,53,56)/T40-, 42-, 43-, 47-, 64?/M1/S1

Inchi kle

Azcgotuyepxhmj-psvhyzmasa-n

2 Lòt non pou sibstans sa a

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O-Metil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9CI); 5 ′ -O-(4,4 ′ -dimethoxytrityl) -n6-benzoyl-2 ′-O-Methyladenosine 3 ′ -(2 -cyanoethylN,N-Diisopropylphosphoramidite)

Espèk eksperimantal

Spèktr ki disponib
13 C NMR
Etero nmr
Mas

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 4050 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.08 x 105 pH 2; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 pH 3; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 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 1.00 x 106 pH 8; Tan: 25 ° C (1) ACD
Faktè bioconcentration 2.10 x 105 pH 9; Tan: 25 ° C (1) ACD
Faktè bioconcentration 60800 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 1830 Ph 1; Tan: 25 ° C (1) ACD
Ka 48700 pH 2; Tan: 25 ° C (1) ACD
Ka 4.91 x 105 pH 3; Tan: 25 ° C (1) ACD
Ka 1.52 x 106 pH 4; Tan: 25 ° C (1) ACD
Ka 1.90 x 106 pH 5; Tan: 25 ° C (1) ACD
Ka 1.91 x 106 pH 6; Tan: 25 ° C (1) ACD
Ka 1.57 x 106 pH 7; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Ka 5.78 x 105 pH 8; Tan: 25 ° C (1) ACD
Ka 95000 pH 9; Tan: 25 ° C (1) ACD
Ka 27500 pH 10; Tan: 25 ° C (1) ACD
Logd 6.01 Ph 1; Tan: 25 ° C (1) ACD
Logd 7.43 pH 2; Tan: 25 ° C (1) ACD
Logd 8.44 pH 3; Tan: 25 ° C (1) ACD
Logd 8.93 pH 4; Tan: 25 ° C (1) ACD
Logd 9.02 pH 5; Tan: 25 ° C (1) ACD
Logd 9.02 pH 6; Tan: 25 ° C (1) ACD
Logd 8.94 pH 7; Tan: 25 ° C (1) ACD
Logd 8.51 pH 8; Tan: 25 ° C (1) ACD
Logd 7.72 pH 9; Tan: 25 ° C (1) ACD
Logd 7.18 pH 10; Tan: 25 ° C (1) ACD
logp 9.038 ± 0.723 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 1.4 x 10-5 g/l Tan: 25 ° C (1) ACD
Mas solubility 0.014 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 5.3 x 10-4 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 5.3 x 10-5 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 1.7 x 10-5 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 1.3 x 10-5 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 1.3 x 10-5 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 1.7 x 10-5 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 4.5 x 10-5 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 2.8 x 10-4 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 9.8 x 10-4 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 1.7 x 10-5 g/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 1.6 x 10-8 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-5 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 6.0 x 10-7 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 6.0 x 10-8 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 1.9 x 10-8 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 1.5 x 10-8 mol/l pH 5; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Solubilite molè 1.5 x 10-8 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 1.9 x 10-8 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 5.1 x 10-8 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 3.1 x 10-7 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 1.1 x 10-6 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 1.9 x 10-8 mol/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Pwa molekilè 887.96    
pka 7.87 ± 0.43 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 19   (1) ACD
H akseptab 15   (1) ACD
H donatè 1   (1) ACD
H donatè/aksepte sòm 16   (1) ACD
logp 9.038 ± 0.723 Tan: 25 ° C (1) ACD
Pwa molekilè 887.96    

(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 178 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 danje Sous
H335 Ka lakòz iritasyon respiratwa Ekspè òganize

 

Kòd Deklarasyon danje Sous
H331 Toksik si respire Ekspè òganize
H319 Lakòz iritasyon je grav Ekspè òganize
H315 Lakòz iritasyon po Ekspè òganize
H311 Toksik an kontak ak po Ekspè òganize
H301+H311+H331 Toksik si vale, an kontak ak po oswa nan respire Ekspè òganize
H301 Toksik si vale Ekspè òganize

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