ChemSpider 2D Image | 4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butan(~2~H)oic acid | C11H13DN4O4

4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butan(2H)oic acid

  • Molecular FormulaC11H13DN4O4
  • Average mass267.259 Da
  • Monoisotopic mass267.107788 Da
  • ChemSpider ID95562374

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-1-butanoic acid-d, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo- [ACD/Index Name]
4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butan(2H)oic acid [ACD/IUPAC Name]
4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butan(2H)säure [German] [ACD/IUPAC Name]
Acide 4-(3,7-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)butan(2H)oïque [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: 575.6±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.9±31.8 °C
Index of Refraction: 1.669
Molar Refractivity: 66.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 177.2±7.0 cm3

Click to predict properties on the Chemicalize site


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