ChemSpider 2D Image | 9-(6-Deoxy-beta-D-allofuranosyl)-9H-purine-6-thiol | C11H14N4O4S

9-(6-Deoxy-β-D-allofuranosyl)-9H-purine-6-thiol

  • Molecular FormulaC11H14N4O4S
  • Average mass298.318 Da
  • Monoisotopic mass298.073578 Da
  • ChemSpider ID26640677

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

9-(6-Deoxy-β-D-allofuranosyl)-9H-purine-6-thiol [ACD/IUPAC Name]
9-(6-Desoxy-β-D-allofuranosyl)-9H-purin-6-thiol [German] [ACD/IUPAC Name]
9-(6-Désoxy-β-D-allofuranosyl)-9H-purine-6-thiol [French] [ACD/IUPAC Name]
9H-Purine-6-thiol, 9-(6-deoxy-β-D-allofuranosyl)- [ACD/Index 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: 626.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.5±34.3 °C
Index of Refraction: 1.857
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 155.3±7.0 cm3

Click to predict properties on the Chemicalize site


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