ChemSpider 2D Image | 2-Chloro-9-(beta-D-lyxofuranosyl)-9H-purin-6-amine | C10H12ClN5O4

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

  • Molecular FormulaC10H12ClN5O4
  • Average mass301.686 Da
  • Monoisotopic mass301.057770 Da
  • ChemSpider ID23014395
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Chloro-9-(β-D-lyxofuranosyl)-9H-purin-6-amine
9H-Purin-6-amine, 2-chloro-9-β-D-lyxofuranosyl-
146-77-0 [RN]
2-Chloroadenosine [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 591.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.7±32.9 °C
Index of Refraction: 1.912
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.22
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.22
Polar Surface Area: 140 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 137.5±7.0 cm3

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