ChemSpider 2D Image | 9-{5-O-[Hydroxy(methoxy)phosphoryl]-beta-D-xylofuranosyl}-9H-purin-6-ol | C11H15N4O8P

9-{5-O-[Hydroxy(methoxy)phosphoryl]-β-D-xylofuranosyl}-9H-purin-6-ol

  • Molecular FormulaC11H15N4O8P
  • Average mass362.233 Da
  • Monoisotopic mass362.062744 Da
  • ChemSpider ID114813327

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{5-O-[Hydroxy(methoxy)phosphoryl]-β-D-xylofuranosyl}-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-{5-O-[Hydroxy(methoxy)phosphoryl]-β-D-xylofuranosyl}-9H-purin-6-ol [ACD/IUPAC Name]
9-{5-O-[Hydroxy(méthoxy)phosphoryl]-β-D-xylofuranosyl}-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[5-O-(hydroxymethoxyphosphinyl)-β-D-xylofuranosyl]- [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: 701.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 1.788
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -5.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 104.9±7.0 dyne/cm
Molar Volume: 174.6±7.0 cm3

Click to predict properties on the Chemicalize site


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