C53H66N7O8PSI CAS NO.: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′-O- [1,1-dimethylethyl) Dimethylsilyl]-, 3-nynyil), 2-nyylilinyl)-2-n-nyyyl)-2-nynyil)-Nn-nyyylsyl), / 2-n-nyyyl), / 1,1-nyl- methylethyl) fosforamidit] (ACI)

produi

C53H66N7O8PSI CAS NO.: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′-O- [1,1-dimethylethyl) Dimethylsilyl]-, 3-nynyil), 2-nyylilinyl)-2-n-nyyyl)-2-nynyil)-Nn-nyyylsyl), / 2-n-nyyyl), / 1,1-nyl- methylethyl) fosforamidit] (ACI)

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

104992-55-4

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 988.19 -
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) C1O [SI] (C) (C) C (C) (C) C) COC (C = 5C = CC = C5) (C6 = C = C) C) C6 = C6 = C6 = C6 = C6 = C Cc = c (oc) c = c7) n (c (c) 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] (o [si] (c (c) (c) c) (c) c) [c @@ h] (o1) n2c = 3c (n = c2) = c (nc () o) c = c = c = c = c = c (n N = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7

Inchi

InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40 ) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (6) 2-17,19-30,34-37,44,46-47,51h, 18,32-33h2,1-11h3, (h, 55,56,58,61)/t44-, 46-, 47-, 51-, 69?/M1/s1

Inchi kle

Ffxhncnnhasxct-rfmfgjhusa-n

1 lòt non pou sibstans sa a

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-metoxyphenyl) fenilmetil] -2 ′-O- [(1,1-dimethylethyl) dimethylsilyl]-, 3 ′- [2-cyanoethyl bis (1- methylethyl) fosforamidit] (9CI)

Espèk eksperimantal

Spèktr ki disponib
Mas

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 5.50 x 105 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 1.00 x 106 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 61500 Ph 1; Tan: 25 ° C (1) ACD
Ka 1.64 x 106 pH 2; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 3; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 4; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 5; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 6; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 7; Tan: 25 ° C (1) ACD
Ka 1.00 x 107 pH 8; Tan: 25 ° C (1) ACD
Ka 3.20 x 106 pH 9; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Ka 9.24 x 105 pH 10; Tan: 25 ° C (1) ACD
Logd 8.81 Ph 1; Tan: 25 ° C (1) ACD
Logd 10.24 pH 2; Tan: 25 ° C (1) ACD
Logd 11.24 pH 3; Tan: 25 ° C (1) ACD
Logd 11.73 pH 4; Tan: 25 ° C (1) ACD
Logd 11.83 pH 5; Tan: 25 ° C (1) ACD
Logd 11.83 pH 6; Tan: 25 ° C (1) ACD
Logd 11.75 pH 7; Tan: 25 ° C (1) ACD
Logd 11.31 pH 8; Tan: 25 ° C (1) ACD
Logd 10.53 pH 9; Tan: 25 ° C (1) ACD
Logd 9.99 pH 10; Tan: 25 ° C (1) ACD
logp 11.845 ± 0.715 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 1.2 x 10-5 g/l Tan: 25 ° C (1) ACD
Mas solubility 3.5 x 10-3 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 1.1 x 10-4 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 9.9 x 10-6 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 3.4 x 10-6 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 2.7 x 10-6 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 2.7 x 10-6 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-6 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 8.9 x 10-6 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 6.3 x 10-5 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 4.2 x 10-4 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-6 g/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 1.2 x 10-8 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 3.5 x 10-6 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 1.1 x 10-7 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 1.0 x 10-8 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 3.4 x 10-9 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 2.7 x 10-9 mol/l pH 5; Tan: 25 ° C (1) ACD
Solubilite molè 2.7 x 10-9 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 3.2 x 10-9 mol/l pH 7; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Solubilite molè 9.0 x 10-9 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 6.4 x 10-8 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 4.2 x 10-7 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 3.2 x 10-9 mol/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD
Pwa molekilè 988.19
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 21   (1) ACD
H akseptab 15   (1) ACD
H donatè 1   (1) ACD
H donatè/aksepte sòm 16   (1) ACD
logp 11.845 ± 0.715 Tan: 25 ° C (1) ACD
Pwa molekilè 988.19    

Kalkile lè l sèvi avèk yo

Posesyon Valè Sous kondisyon
Zòn sifas polè 178 A2 (1) ACD

Estrikti ki gen rapò

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

Avanse Chimi Devlopman (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)

Prevwa spèktr

Spèktr ki disponib
1 H NMR
13 C NMR


  • Previous:
  • Next:

  • Ekri mesaj ou a isit la epi voye li bay nou