ChemSpider 2D Image | 9-(3,5,6-Tri-O-benzoyl-beta-D-glucofuranosyl)-9H-purin-6-amine | C32H27N5O8

9-(3,5,6-Tri-O-benzoyl-β-D-glucofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID8207219

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

9-(3,5,6-Tri-O-benzoyl-β-D-glucofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(3,5,6-Tri-O-benzoyl-β-D-glucofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(3,5,6-Tri-O-benzoyl-β-D-glucofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(3,5,6-tri-O-benzoyl-β-D-glucofuranosyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 849.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.4±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2508.20
ACD/KOC (pH 5.5): 9339.28
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2601.04
ACD/KOC (pH 7.4): 9684.99
Polar Surface Area: 178 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 412.3±7.0 cm3

Click to predict properties on the Chemicalize site


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