ChemSpider 2D Image | 2-(8-Bromo-3-methyl-2,6-dioxooctahydro-7H-purin-7-yl)ethyl propionate | C11H17BrN4O4

2-(8-Bromo-3-methyl-2,6-dioxooctahydro-7H-purin-7-yl)ethyl propionate

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID110103810

More details:

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

1H-Purine-2,6-dione, 8-bromohexahydro-3-methyl-7-[2-(1-oxopropoxy)ethyl]- [ACD/Index Name]
2-(8-Brom-3-methyl-2,6-dioxooctahydro-7H-purin-7-yl)ethylpropionat [German] [ACD/IUPAC Name]
2-(8-Bromo-3-methyl-2,6-dioxooctahydro-7H-purin-7-yl)ethyl propionate [ACD/IUPAC Name]
Propionate de 2-(8-bromo-3-méthyl-2,6-dioxooctahydro-7H-purin-7-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 45.94
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.68
Polar Surface Area: 91 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 232.8±3.0 cm3

Click to predict properties on the Chemicalize site


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