ChemSpider 2D Image | 7-(6-Deoxy-beta-D-allofuranosyl)-7H-purin-6-ol | C11H14N4O5

7-(6-Deoxy-β-D-allofuranosyl)-7H-purin-6-ol

  • Molecular FormulaC11H14N4O5
  • Average mass282.253 Da
  • Monoisotopic mass282.096405 Da
  • ChemSpider ID26641289

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

7-(6-Deoxy-β-D-allofuranosyl)-7H-purin-6-ol [ACD/IUPAC Name]
7-(6-Desoxy-β-D-allofuranosyl)-7H-purin-6-ol [German] [ACD/IUPAC Name]
7-(6-Désoxy-β-D-allofuranosyl)-7H-purin-6-ol [French] [ACD/IUPAC Name]
7H-Purin-6-ol, 7-(6-deoxy-β-D-allofuranosyl)- [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: 647.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.832
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 89.4±7.0 dyne/cm
Molar Volume: 143.9±7.0 cm3

Click to predict properties on the Chemicalize site


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