ChemSpider 2D Image | ({[(2R)-1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid | C9H13N4O5P

({[(2R)-1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC9H13N4O5P
  • Average mass288.197 Da
  • Monoisotopic mass288.062347 Da
  • ChemSpider ID115284085

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({[(2R)-1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(2R)-1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(2R)-1-(6-oxo-1,6-dihydro-9H-purin-9-yl)-2-propanyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(1R)-2-(1,6-dihydro-6-oxo-9H-purin-9-yl)-1-methylethoxy]methyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 63.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -5.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 88.1±7.0 dyne/cm
Molar Volume: 160.7±7.0 cm3

Click to predict properties on the Chemicalize site


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