C44H49N5O7SI adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)

produi

C44H49N5O7SI adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Pwopriyete fizik

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 787.98 -
Dansite (prevwa) 1.23 ± 0.1 g/cm3 Tanperati: 20 ° C; Peze: 760 Torr
PKA (prevwa) 7.87 ± 0.43 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal
O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3O [SI] (C) (C) C (C)
Souri izomèr
C (OC [C@H] 1O [C@H] ([C@H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C = 3C (N = C2) = C (N C (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1S/C44H49N5O7SI/C1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27-46-40 (36) 49-39 (45-27-46-40 (36) 49-39 (45-27-46-40 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-, 37-, 38-, 42-/m1/s1
Inchi kle
Dazigopasnjpcj-gnecsjiwsa-n
2 Lòt non pou sibstans sa a
N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-benzoyl-5′-O- (4,4′- dimethoxytrityl) -2′-O- (tert-butyldimethylsilyl) adenosine

Espèk eksperimantal

Spèktr ki disponib
1H NMR
Etero nmr

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 1.00 x 106 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.00 x 106 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 1.00 x 106 pH 9; Tan: 25 ° C (1) ACD
Faktè bioconcentration 5.41 x 105 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 2.01 x 106 Ph 1; Tan: 25 ° C (1) ACD
Ka 6.87 x 106 pH 2; Tan: 25 ° C (1) ACD
Ka 9.08 x 106 pH 3; Tan: 25 ° C (1) ACD
Ka 9.38 x 106 pH 4; Tan: 25 ° C (1) ACD
Ka 9.39 x 106 pH 5; Tan: 25 ° C (1) ACD
Ka 9.19 x 106 pH 6; Tan: 25 ° C (1) ACD
Ka 7.53 x 106 pH 7; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Ka 2.73 x 106 pH 8; Tan: 25 ° C (1) ACD
Ka 4.48 x 105 pH 9; Tan: 25 ° C (1) ACD
Ka 1.31 x 105 pH 10; Tan: 25 ° C (1) ACD
Logd 9.62 Ph 1; Tan: 25 ° C (1) ACD
Logd 10.15 pH 2; Tan: 25 ° C (1) ACD
Logd 10.27 pH 3; Tan: 25 ° C (1) ACD
Logd 10.29 pH 4; Tan: 25 ° C (1) ACD
Logd 10.29 pH 5; Tan: 25 ° C (1) ACD
Logd 10.28 pH 6; Tan: 25 ° C (1) ACD
Logd 10.19 pH 7; Tan: 25 ° C (1) ACD
Logd 9.75 pH 8; Tan: 25 ° C (1) ACD
Logd 8.97 pH 9; Tan: 25 ° C (1) ACD
Logd 8.43 pH 10; Tan: 25 ° C (1) ACD
logp 10.291 ± 0.708 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 1.1 x 10-6 g/l Tan: 25 ° C (1) ACD
Mas solubility 4.8 x 10-6 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 1.4 x 10-6 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 1.1 x 10-6 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 1.0 x 10-6 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 1.0 x 10-6 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 1.0 x 10-6 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 1.3 x 10-6 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 3.5 x 10-6 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 7.6 x 10-5 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 1.3 x 10-6 g/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 1.4 x 10-9 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 6.1 x 10-9 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 1.8 x 10-9 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 1.4 x 10-9 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 1.3 x 10-9 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 1.3 x 10-9 mol/l pH 5; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Solubilite molè 1.3 x 10-9 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-9 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 4.5 x 10-9 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 2.8 x 10-8 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 9.6 x 10-8 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 1.6 x 10-9 mol/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD
Pwa molekilè 787.98    
pka 7.87 ± 0.43 Pifò asid tanperati: 25 ° C (1) ACD
pka 1.39 ± 0.10 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)

Densite

Posesyon Valè Kondisyon Sous
Densite 1.23 ± 0.1 g/cm3 Tanperati: 20 ° C; Peze: 760 Torr (1) ACD
Volim molè 639.5 ± 7.0 cm3/mol Tanperati: 20 ° C; Peze: 760 Torr (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 14   (1) ACD
H akseptab 12   (1) ACD
H donatè 2   (1) ACD
H donatè/aksepte sòm 14   (1) ACD
logp 10.291 ± 0.708 Tan: 25 ° C (1) ACD
Pwa molekilè 787.98    

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

Estrikti ki gen rapò

Posesyon Valè

Kondisyon

Sous
Zòn sifas polè 139 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
1H NMR
13c NMR


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