ChemSpider 2D Image | ({[(2S)-3-(6-Amino-9H-purin-9-yl)-1-(cyclopropylamino)-1-oxo-2-propanyl]oxy}methyl)phosphonic acid | C12H17N6O5P

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

  • Molecular FormulaC12H17N6O5P
  • Average mass356.274 Da
  • Monoisotopic mass356.099792 Da
  • ChemSpider ID58909372

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.826
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -5.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 107.0±7.0 dyne/cm
Molar Volume: 182.7±7.0 cm3

Click to predict properties on the Chemicalize site


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