ChemSpider 2D Image | 2'-Deoxy-N-(2,2-dimethylpropanoyl)-5'-O-(2,2-dimethylpropanoyl)-3'-O-[(4-methylphenyl)sulfonyl]adenosine | C27H35N5O7S

2'-Deoxy-N-(2,2-dimethylpropanoyl)-5'-O-(2,2-dimethylpropanoyl)-3'-O-[(4-methylphenyl)sulfonyl]adenosine

  • Molecular FormulaC27H35N5O7S
  • Average mass573.661 Da
  • Monoisotopic mass573.225708 Da
  • ChemSpider ID21505389

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-N-(2,2-dimethylpropanoyl)-5'-O-(2,2-dimethylpropanoyl)-3'-O-[(4-methylphenyl)sulfonyl]adenosine [ACD/IUPAC Name]
2'-Desoxy-N-(2,2-dimethylpropanoyl)-5'-O-(2,2-dimethylpropanoyl)-3'-O-[(4-methylphenyl)sulfonyl]adenosin [German] [ACD/IUPAC Name]
2'-Désoxy-N-(2,2-diméthylpropanoyl)-5'-O-(2,2-diméthylpropanoyl)-3'-O-[(4-méthylphényl)sulfonyl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-N-(2,2-dimethyl-1-oxopropyl)-, 5'-(2,2-dimethylpropanoate) 3'-(4-methylbenzenesulfonate) [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 346.97
ACD/KOC (pH 5.5): 2290.23
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.94
ACD/KOC (pH 7.4): 2237.18
Polar Surface Area: 160 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 421.0±7.0 cm3

Click to predict properties on the Chemicalize site


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