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ChemSpider 2D Image | 2,4,6(1H,3H,5H)-(~2~H_4_)Pyrimidinetrione | C4D4N2O3

2,4,6(1H,3H,5H)-(2H4)Pyrimidinetrione

  • Molecular FormulaC4D4N2O3
  • Average mass132.111 Da
  • Monoisotopic mass132.047302 Da
  • ChemSpider ID67027208
  • Non-standard isotope - Non-standard isotope


More details:






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

2,4,6(1H,3H,5H)-(2H4)Pyrimidinetrione [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-(2H4)Pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-(2H4)Pyrimidintrion [German] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione-d4 [ACD/Index Name]
1,3,5,5-tetradeutero barbituric acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.492
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 88.0±3.0 cm3

Click to predict properties on the Chemicalize site






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