ChemSpider 2D Image | {[1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-(phosphonomethoxy)-2-propanyl]oxy}acetic acid | C11H15N4O8P

{[1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-(phosphonomethoxy)-2-propanyl]oxy}acetic acid

  • Molecular FormulaC11H15N4O8P
  • Average mass362.233 Da
  • Monoisotopic mass362.062744 Da
  • ChemSpider ID28491989

More details:

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

{[1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-(phosphonomethoxy)-2-propanyl]oxy}acetic acid [ACD/IUPAC Name]
{[1-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-(phosphonomethoxy)-2-propanyl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[2-(1,6-dihydro-6-oxo-9H-purin-9-yl)-1-[(phosphonomethoxy)methyl]ethoxy]- [ACD/Index Name]
Acide {[1-(6-oxo-1,6-dihydro-9H-purin-9-yl)-3-(phosphonométhoxy)-2-propanyl]oxy}acétique [French] [ACD/IUPAC 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: 1.709
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -7.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 94.7±7.0 dyne/cm
Molar Volume: 194.7±7.0 cm3

Click to predict properties on the Chemicalize site


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