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

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

  • Molecular FormulaC10H12ClN5O4
  • Average mass301.686 Da
  • Monoisotopic mass301.057770 Da
  • ChemSpider ID90637134

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Chlor-9-(β-D-xylopyranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Chloro-9-(β-D-xylopyranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
2-Chloro-9-(β-D-xylopyranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-chloro-9-β-D-xylopyranosyl- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.3±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: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.75
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.76
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

Click to predict properties on the Chemicalize site


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