ChemSpider 2D Image | 9-(2-Chloro-2-deoxy-5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-ol | C10H12ClN4O7P

9-(2-Chloro-2-deoxy-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-ol

  • Molecular FormulaC10H12ClN4O7P
  • Average mass366.652 Da
  • Monoisotopic mass366.013214 Da
  • ChemSpider ID57492254

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(2-Chlor-2-desoxy-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-(2-Chloro-2-deoxy-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [ACD/IUPAC Name]
9-(2-Chloro-2-désoxy-5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-(2-chloro-2-deoxy-5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
90706-58-4 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 794.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.852
Molar Refractivity: 72.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 120.5±7.0 dyne/cm
Molar Volume: 162.2±7.0 cm3

Click to predict properties on the Chemicalize site


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