ChemSpider 2D Image | 9-[2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-(methylsulfonyl)pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine | C18H27N5O6S

9-[2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-(methylsulfonyl)pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine

  • Molecular FormulaC18H27N5O6S
  • Average mass441.502 Da
  • Monoisotopic mass441.168213 Da
  • ChemSpider ID95637948

More details:

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

9-[2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-(methylsulfonyl)pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(2,2-dimethylpropanoyl)-3-O-(methylsulfonyl)pentofuranosyl]-N,N-dimethyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(2,2-diméthylpropanoyl)-3-O-(méthylsulfonyl)pentofuranosyl]-N,N-diméthyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-5-O-(2,2-dimethyl-1-oxopropyl)-3-O-(methylsulfonyl)pentofuranosyl]-N,N-dimethyl- [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: 639.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.54
ACD/KOC (pH 5.5): 206.94
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.78
ACD/KOC (pH 7.4): 227.53
Polar Surface Area: 134 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 309.6±7.0 cm3

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