ChemSpider 2D Image | Ethyl [6-(diethoxyphosphoryl)-9H-purin-9-yl]acetate | C13H19N4O5P

Ethyl [6-(diethoxyphosphoryl)-9H-purin-9-yl]acetate

  • Molecular FormulaC13H19N4O5P
  • Average mass342.288 Da
  • Monoisotopic mass342.109314 Da
  • ChemSpider ID21118764

More details:

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

[6-(Diéthoxyphosphoryl)-9H-purin-9-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
9H-Purine-9-acetic acid, 6-(diethoxyphosphinyl)-, ethyl ester [ACD/Index Name]
Ethyl [6-(diethoxyphosphoryl)-9H-purin-9-yl]acetate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 82.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.36
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 36.37
Polar Surface Area: 115 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

Click to predict properties on the Chemicalize site


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