ChemSpider 2D Image | 9-(5-Chloro-5-deoxy-beta-D-lyxofuranosyl)-9H-purin-6-amine | C10H12ClN5O3

9-(5-Chloro-5-deoxy-β-D-lyxofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC10H12ClN5O3
  • Average mass285.687 Da
  • Monoisotopic mass285.062866 Da
  • ChemSpider ID21475180
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9-(5-Chlor-5-desoxy-β-D-lyxofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-Chloro-5-deoxy-β-D-lyxofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-Chloro-5-désoxy-β-D-lyxofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(5-chloro-5-deoxy-β-D-lyxofuranosyl)- [ACD/Index Name]
(3S,5S,2R,4R)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 645.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.2±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: 0.30
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.90
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.72
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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