ChemSpider 2D Image | 2-(6-Amino-9H-purin-9-yl)ethyl methyl hydrogen phosphate | C8H12N5O4P

2-(6-Amino-9H-purin-9-yl)ethyl methyl hydrogen phosphate

  • Molecular FormulaC8H12N5O4P
  • Average mass273.186 Da
  • Monoisotopic mass273.062683 Da
  • ChemSpider ID23125120

More details:

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

2-(6-Amino-9H-purin-9-yl)ethyl methyl hydrogen phosphate [ACD/IUPAC Name]
2-(6-Amino-9H-purin-9-yl)ethyl-methylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-(6-amino-9H-purin-9-yl)éthyle et de méthyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-(6-amino-9H-purin-9-yl)ethyl methyl ester [ACD/Index Name]
Phosphoric acid 2-(6-amino-7H-purin-9-yl)-ethyl ester methyl ester(PMEA)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 532.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.6±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 60.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 153.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement