ChemSpider 2D Image | {2-[2-(6-Oxo-6,9-dihydro-1H-purin-1-yl)ethoxy]ethyl}phosphonic acid | C9H13N4O5P

{2-[2-(6-Oxo-6,9-dihydro-1H-purin-1-yl)ethoxy]ethyl}phosphonic acid

  • Molecular FormulaC9H13N4O5P
  • Average mass288.197 Da
  • Monoisotopic mass288.062347 Da
  • ChemSpider ID34531799

More details:

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

{2-[2-(6-Oxo-6,9-dihydro-1H-purin-1-yl)ethoxy]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[2-(6-Oxo-6,9-dihydro-1H-purin-1-yl)ethoxy]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[2-(6-oxo-6,9-dihydro-1H-purin-1-yl)éthoxy]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[2-(6,9-dihydro-6-oxo-1H-purin-1-yl)ethoxy]ethyl]- [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: 707.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.9±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -6.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 161.5±7.0 cm3

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