ChemSpider 2D Image | 9-(2-Chloro-2-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine | C10H12ClN5O3

9-(2-Chloro-2-deoxy-β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC10H12ClN5O3
  • Average mass285.687 Da
  • Monoisotopic mass285.062866 Da
  • ChemSpider ID57491823

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(2-Chlor-2-desoxy-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Chloro-2-deoxy-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Chloro-2-désoxy-β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(2-chloro-2-deoxy-β-D-xylofuranosyl)- [ACD/Index Name]
2627-62-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 678.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.0±34.3 °C
Index of Refraction: 1.871
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.95
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.44
Polar Surface Area: 119 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 93.5±7.0 dyne/cm
Molar Volume: 140.2±7.0 cm3

Click to predict properties on the Chemicalize site


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