ChemSpider 2D Image | 2,6-Dihydroxy-1-methylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3) | C213C4H6N15N3O2

2,6-Dihydroxy-1-methylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)

  • Molecular FormulaC213C4H6N15N3O2
  • Average mass173.088 Da
  • Monoisotopic mass173.053604 Da
  • ChemSpider ID28638019
  • Non-standard isotope - Non-standard isotope

More details:

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

1173018-69-3 [RN]
1H-Purine-2,6-dione-2,4,5,6-13C4-1,3,9-15N3, 3,7-dihydro-1-methyl- [ACD/Index Name]
1-Methyl(2,4,5,6-13C4,1,3,9-15N3)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Methyl(2,4,5,6-13C4,1,3,9-15N3)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Méthyl(2,4,5,6-13C4,1,3,9-15N3)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
2,6-Dihydroxy-1-methylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)
1-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3

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: 1.627
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 107.9±3.0 cm3

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