ChemSpider 2D Image | 3-(2-Deoxypentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one | C13H13N5O4

3-(2-Deoxypentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one

  • Molecular FormulaC13H13N5O4
  • Average mass303.273 Da
  • Monoisotopic mass303.096741 Da
  • ChemSpider ID52563202

More details:






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

3-(2-Deoxypentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one [ACD/IUPAC Name]
3-(2-Desoxypentofuranosyl)pyrimido[1,2-a]purin-10(3H)-on [German] [ACD/IUPAC Name]
3-(2-Désoxypentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one [French] [ACD/IUPAC Name]
Pyrimido[1,2-a]purin-10(3H)-one, 3-(2-deoxypentofuranosyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 718.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.4±35.7 °C
Index of Refraction: 1.865
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.23
Polar Surface Area: 113 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 91.5±7.0 dyne/cm
Molar Volume: 161.9±7.0 cm3

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