ChemSpider 2D Image | 9-[(2R,5R)-5-(Hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one | C10H12N4O3

9-[(2R,5R)-5-(Hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H12N4O3
  • Average mass236.227 Da
  • Monoisotopic mass236.090942 Da
  • ChemSpider ID21509837

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

6H-Purin-6-one, 3,9-dihydro-9-[(2R,5R)-tetrahydro-5-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]
9-[(2R,5R)-5-(Hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[(2R,5R)-5-(Hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[(2R,5R)-5-(Hydroxyméthyl)tétrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC 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: 586.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±32.9 °C
Index of Refraction: 1.798
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.73
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.80
Polar Surface Area: 89 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 79.2±7.0 dyne/cm
Molar Volume: 134.1±7.0 cm3

Click to predict properties on the Chemicalize site


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