ChemSpider 2D Image | ({1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}methyl)phosphonic acid | C9H14N5O6P

({1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}methyl)phosphonic acid

  • Molecular FormulaC9H14N5O6P
  • Average mass319.211 Da
  • Monoisotopic mass319.068176 Da
  • ChemSpider ID23165435

More details:

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

({1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}methyl)phosphonic acid [ACD/IUPAC Name]
({1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({1-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)méthoxy]éthoxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[1-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethoxy]methyl]- [ACD/Index Name]
[1-(2-Amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethoxymethyl]-phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL309527/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 705.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.750
Molar Refractivity: 66.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 100.1±7.0 dyne/cm
Molar Volume: 163.9±7.0 cm3

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