ChemSpider 2D Image | 3-(beta-D-Arabinopyranosyl)-5-methoxy-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C11H15N5O6

3-(β-D-Arabinopyranosyl)-5-methoxy-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC11H15N5O6
  • Average mass313.267 Da
  • Monoisotopic mass313.102234 Da
  • ChemSpider ID62657947

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-(β-D-Arabinopyranosyl)-5-methoxy-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
3-(β-D-Arabinopyranosyl)-5-methoxy-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
3-(β-D-Arabinopyranosyl)-5-méthoxy-6-méthyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3-β-D-arabinopyranosyl-3,6-dihydro-5-methoxy-6-methyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 606.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.5±34.3 °C
Index of Refraction: 1.799
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 143 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 86.0±7.0 dyne/cm
Molar Volume: 160.3±7.0 cm3

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