ChemSpider 2D Image | 1,3,7-Trimethyluric Acid-d9 | C8HD9N4O3

1,3,7-Trimethyluric Acid-d9

  • Molecular FormulaC8HD9N4O3
  • Average mass219.245 Da
  • Monoisotopic mass219.131775 Da
  • ChemSpider ID48061975

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3,7-Trimethyluric Acid-d9
1,3,7-Tris[(2H3)methyl]-7,9-dihydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
1,3,7-Tris[(2H3)methyl]-7,9-dihydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
1,3,7-Tris[(2H3)méthyl]-7,9-dihydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
117490-42-3 [RN]
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-tri(methyl-d3)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 50.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.17
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 73 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 135.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement