ChemSpider 2D Image | [2-(6-Amino-9H-purin-9-yl)ethoxy]methyl hydrogen [3-(carboxyoxy)-3,4-dihydroxy-1,4-pentadien-2-yl]phosphonate | C14H18N5O9P

[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl hydrogen [3-(carboxyoxy)-3,4-dihydroxy-1,4-pentadien-2-yl]phosphonate

  • Molecular FormulaC14H18N5O9P
  • Average mass431.295 Da
  • Monoisotopic mass431.084198 Da
  • ChemSpider ID110404395

More details:

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

[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl hydrogen [3-(carboxyoxy)-3,4-dihydroxy-1,4-pentadien-2-yl]phosphonate [ACD/IUPAC Name]
[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl-hydrogen[3-(carboxyoxy)-3,4-dihydroxy-1,4-pentadien-2-yl]phosphonat [German] [ACD/IUPAC Name]
Hydrogéno[3-(carboxyoxy)-3,4-dihydroxy-1,4-pentadién-2-yl]phosphonate de [2-(6-amino-9H-purin-9-yl)éthoxy]méthyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[2-(carboxyoxy)-2,3-dihydroxy-1-methylene-3-buten-1-yl]-, mono[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl] ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 806.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.5±37.1 °C
Index of Refraction: 1.670
Molar Refractivity: 93.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 81.1±7.0 dyne/cm
Molar Volume: 249.8±7.0 cm3

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