ChemSpider 2D Image | 9-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | C10H12N4O4

9-(2-Deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H12N4O4
  • Average mass252.227 Da
  • Monoisotopic mass252.085861 Da
  • ChemSpider ID103885112

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6H-Purin-6-one, 9-(2-deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro- [ACD/Index Name]
84828-85-3 [RN]
9-(2-Deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-(2-Desoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-D-érythro-pentofuranosyl)-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: 1.9±0.1 g/cm3
Boiling Point: 744.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.2±32.9 °C
Index of Refraction: 1.837
Molar Refractivity: 58.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 109 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 90.9±7.0 dyne/cm
Molar Volume: 131.4±7.0 cm3

Click to predict properties on the Chemicalize site


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