ChemSpider 2D Image | 2,4-Dioxo-1-{[1-(beta-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine | C12H15N5O6

2,4-Dioxo-1-{[1-(β-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine

  • Molecular FormulaC12H15N5O6
  • Average mass325.277 Da
  • Monoisotopic mass325.102234 Da
  • ChemSpider ID28648464
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,4-Dioxo-1-{[1-(β-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidin [German] [ACD/IUPAC Name]
2,4-Dioxo-1-{[1-(β-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine [ACD/IUPAC Name]
2,4-Dioxo-1-{[1-(β-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]méthyl}-1,2,3,4-tétrahydropyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 1,2,3,4-tetrahydro-2,4-dioxo-1-[(1-β-D-ribofuranosyl-1H-1,2,3-triazol-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.811
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 150 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 95.7±7.0 dyne/cm
Molar Volume: 168.9±7.0 cm3

Click to predict properties on the Chemicalize site






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