ChemSpider 2D Image | 3-Methyl-1-(5-oxohexyl)-7-(~2~H_7_)propyl-3,7-dihydro-1H-purine-2,6-dione | C15H15D7N4O3

3-Methyl-1-(5-oxohexyl)-7-(2H7)propyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC15H15D7N4O3
  • Average mass313.403 Da
  • Monoisotopic mass313.213135 Da
  • ChemSpider ID48063350

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-(propyl-d7)- [ACD/Index Name]
3-Methyl-1-(5-oxohexyl)-7-(2H7)propyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
3-Methyl-1-(5-oxohexyl)-7-(2H7)propyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3-Méthyl-1-(5-oxohexyl)-7-(2H7)propyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1185880-03-8 [RN]
7-(1,1,2,2,3,3,3-heptadeuteriopropyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.4±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±31.8 °C
Index of Refraction: 1.602
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.54
ACD/KOC (pH 5.5): 147.80
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.54
ACD/KOC (pH 7.4): 147.80
Polar Surface Area: 76 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 243.4±7.0 cm3

Click to predict properties on the Chemicalize site


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