ChemSpider 2D Image | 6-Thio-dG CEP | C45H50F3N8O7PS

6-Thio-dG CEP

  • Molecular FormulaC45H50F3N8O7PS
  • Average mass934.962 Da
  • Monoisotopic mass934.321289 Da
  • ChemSpider ID22937763

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

146691-59-0 [RN]
6-Thio-dG CEP
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3-O-[(2-cyanethoxy)(diisopropylamino)phosphino]-2-desoxy-β-D-erythro-pentofuranosyl}-6-[(2-cyanethyl)sulfanyl]-N-(trifluoracetyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl}-6-[(2-cyanoethyl)sulfanyl]-N-(trifluoroacetyl)-9H-purin-2-amine [ACD/IUPAC Name]
9-{5-O-[Bis(4-méthoxyphényl)(phényl)méthyl]-3-O-[(2-cyanoéthoxy)(diisopropylamino)phosphino]-2-désoxy-β-D-érythro-pentofuranosyl}-6-[(2-cyanoéthyl)sulfanyl]-N-(2,2,2-trifluoroacétyl)-9H-purin-2-ami ne [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-6-[(2-cyanoethyl)thio]-N-(2,2,2-trifluoroacet yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 42591.93
ACD/KOC (pH 5.5): 33651.75
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 6580.12
ACD/KOC (pH 7.4): 5198.93
Polar Surface Area: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

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