ChemSpider 2D Image | 5-Methyl-2,4-dioxo-1-{[1-(beta-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine | C13H17N5O6

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

  • Molecular FormulaC13H17N5O6
  • Average mass339.304 Da
  • Monoisotopic mass339.117889 Da
  • ChemSpider ID28648481

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-Methyl-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]
5-Methyl-2,4-dioxo-1-{[1-(β-D-ribofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine [ACD/IUPAC Name]
5-Méthyl-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-5-methyl-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.781
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 150 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 85.2±7.0 dyne/cm
Molar Volume: 184.1±7.0 cm3

Click to predict properties on the Chemicalize site


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