ChemSpider 2D Image | 9-(beta-D-Allofuranosyl)-2,6-dichloro-9H-purine | C11H12Cl2N4O5

9-(β-D-Allofuranosyl)-2,6-dichloro-9H-purine

  • Molecular FormulaC11H12Cl2N4O5
  • Average mass351.143 Da
  • Monoisotopic mass350.018463 Da
  • ChemSpider ID26376503

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

9-(β-D-Allofuranosyl)-2,6-dichlor-9H-purin [German] [ACD/IUPAC Name]
9-(β-D-Allofuranosyl)-2,6-dichloro-9H-purine [ACD/IUPAC Name]
9-(β-D-Allofuranosyl)-2,6-dichloro-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-β-D-allofuranosyl-2,6-dichloro- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 664.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.4±34.3 °C
Index of Refraction: 1.845
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.65
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.65
Polar Surface Area: 134 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 93.2±7.0 dyne/cm
Molar Volume: 163.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement