ChemSpider 2D Image | {[(4-{[2-(4-Aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid | C20H28N6O5P2

{[(4-{[2-(4-Aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid

  • Molecular FormulaC20H28N6O5P2
  • Average mass494.421 Da
  • Monoisotopic mass494.159637 Da
  • ChemSpider ID21395298

More details:

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

{[(4-{[2-(4-Aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid [ACD/IUPAC Name]
{[(4-{[2-(4-Aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[(4-{[2-(4-aminocyclohexyl)-9-éthyl-9H-purin-6-yl]amino}phényl)(hydroxy)phosphoryl]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[4-[[2-(4-aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino]phenyl]hydroxyphosphinyl]methyl]- [ACD/Index Name]
24A
AP-23451

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

Density: 1.7±0.1 g/cm3
Boiling Point: 789.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.5±35.7 °C
Index of Refraction: 1.759
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.82
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 86.3±7.0 dyne/cm
Molar Volume: 293.0±7.0 cm3

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