ChemSpider 2D Image | [(E)-2-{[2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][2-(phosphonomethoxy)ethyl]amino}vinyl]phosphonic acid | C12H20N6O8P2

[(E)-2-{[2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][2-(phosphonomethoxy)ethyl]amino}vinyl]phosphonic acid

  • Molecular FormulaC12H20N6O8P2
  • Average mass438.270 Da
  • Monoisotopic mass438.081787 Da
  • ChemSpider ID35035213

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)ethyl][(E)-2-Phosphonoethenyl]amino}ethoxy)methyl]phosphonic Acid
[(E)-2-{[2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][2-(phosphonomethoxy)ethyl]amino}vinyl]phosphonic acid [ACD/IUPAC Name]
[(E)-2-{[2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][2-(phosphonomethoxy)ethyl]amino}vinyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(E)-2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)éthyl][2-(phosphonométhoxy)éthyl]amino}vinyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[2-[[2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino]ethoxy]methyl]- [ACD/Index 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: 1.743
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.22
ACD/LogD (pH 5.5): -8.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 111.7±7.0 dyne/cm
Molar Volume: 229.5±7.0 cm3

Click to predict properties on the Chemicalize site


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