ChemSpider 2D Image | 9-(beta-D-Allofuranosyl)-2-chloro-9H-purin-6-amine | C11H14ClN5O5

9-(β-D-Allofuranosyl)-2-chloro-9H-purin-6-amine

  • Molecular FormulaC11H14ClN5O5
  • Average mass331.712 Da
  • Monoisotopic mass331.068359 Da
  • ChemSpider ID26379442

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

9-(β-D-Allofuranosyl)-2-chlor-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(β-D-Allofuranosyl)-2-chloro-9H-purin-6-amine [ACD/IUPAC Name]
9-(β-D-Allofuranosyl)-2-chloro-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-β-D-allofuranosyl-2-chloro- [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: 717.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.897
Molar Refractivity: 70.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.83
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 160 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 107.7±7.0 dyne/cm
Molar Volume: 150.8±7.0 cm3

Click to predict properties on the Chemicalize site


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