ChemSpider 2D Image | ({[(2R)-1-(6-Amino-9H-purin-9-yl)(1,1,3,3,3-~2~H_5_)-2-propanyl]oxy}methyl)phosphonic acid | C9H9D5N5O4P

({[(2R)-1-(6-Amino-9H-purin-9-yl)(1,1,3,3,3-2H5)-2-propanyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC9H9D5N5O4P
  • Average mass292.243 Da
  • Monoisotopic mass292.109711 Da
  • ChemSpider ID58785450

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

({[(2R)-1-(6-Amino-9H-purin-9-yl)(1,1,3,3,3-2H5)-2-propanyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(2R)-1-(6-Amino-9H-purin-9-yl)(1,1,3,3,3-2H5)-2-propanyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(2R)-1-(6-amino-9H-purin-9-yl)(1,1,3,3,3-2H5)-2-propanyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(1R)-1-[(6-amino-9H-purin-9-yl)methyl-d2]ethyl-2,2,2-d3]oxy]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: 616.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.4±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 90.3±7.0 dyne/cm
Molar Volume: 160.2±7.0 cm3

Click to predict properties on the Chemicalize site


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