ChemSpider 2D Image | ({[(1S,3R,4R)-3-(6-Amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy}methyl)phosphonic acid | C11H16N5O5P

({[(1S,3R,4R)-3-(6-Amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC11H16N5O5P
  • Average mass329.249 Da
  • Monoisotopic mass329.088898 Da
  • ChemSpider ID90666414

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

({[(1S,3R,4R)-3-(6-Amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(1S,3R,4R)-3-(6-Amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxycyclopentyl]oxy]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: 715.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.8±35.7 °C
Index of Refraction: 1.849
Molar Refractivity: 72.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 114.1±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement