ChemSpider 2D Image | (4-{7-[2-(4-Chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid | C20H19ClN5O5P

(4-{7-[2-(4-Chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid

  • Molecular FormulaC20H19ClN5O5P
  • Average mass475.822 Da
  • Monoisotopic mass475.081238 Da
  • ChemSpider ID28507692

More details:

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

(4-{7-[2-(4-Chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid [ACD/IUPAC Name]
(4-{7-[2-(4-Chlorphenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (4-{7-[2-(4-chlorophénoxy)éthyl]-2-(méthylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phényl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[7-[2-(4-chlorophenoxy)ethyl]-6,7-dihydro-2-(methylamino)-6-oxo-1H-purin-8-yl]phenyl]- [ACD/Index Name]
HLI

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 294.3±7.0 cm3

Click to predict properties on the Chemicalize site


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