ChemSpider 2D Image | ({[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-methyl-2-propanyl]oxy}methyl)phosphonic acid | C10H16N5O6P

({[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-methyl-2-propanyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC10H16N5O6P
  • Average mass333.238 Da
  • Monoisotopic mass333.083832 Da
  • ChemSpider ID129303708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-methyl-2-propanyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-methyl-2-propanyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-méthyl-2-propanyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(1S)-2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)-1-methylethoxy]methyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 71.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.17
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): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 101.0±7.0 dyne/cm
Molar Volume: 176.2±7.0 cm3

Click to predict properties on the Chemicalize site


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