ChemSpider 2D Image | 9-(2-{[(2S,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}ethyl)-9H-purin-6-amine | C17H19ClN5O4P

9-(2-{[(2S,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}ethyl)-9H-purin-6-amine

  • Molecular FormulaC17H19ClN5O4P
  • Average mass423.791 Da
  • Monoisotopic mass423.086304 Da
  • ChemSpider ID30687758

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

9-(2-{[(2S,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}ethyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-{[(2S,4S)-4-(3-Chlorophényl)-2-oxydo-1,3,2-dioxaphosphinan-2-yl]méthoxy}éthyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-(2-{[(2S,4S)-4-(3-Chlorphenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}ethyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-[[(2S,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]ethyl]- [ACD/Index Name]
625095-60-5 [RN]
pradefovir

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

Density: 1.6±0.1 g/cm3
Boiling Point: 649.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 221.18
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 239.56
Polar Surface Area: 124 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 71.3±7.0 dyne/cm
Molar Volume: 260.3±7.0 cm3

Click to predict properties on the Chemicalize site


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