ChemSpider 2D Image | (2S)-3-(6-Amino-9H-purin-9-yl)-2-hydroxypropyl hydrogen phosphonate | C8H12N5O4P

(2S)-3-(6-Amino-9H-purin-9-yl)-2-hydroxypropyl hydrogen phosphonate

  • Molecular FormulaC8H12N5O4P
  • Average mass273.186 Da
  • Monoisotopic mass273.062683 Da
  • ChemSpider ID26329462

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(6-Amino-9H-purin-9-yl)-2-hydroxypropyl hydrogen phosphonate [ACD/IUPAC Name]
(2S)-3-(6-Amino-9H-purin-9-yl)-2-hydroxypropylhydrogenphosphonat [German] [ACD/IUPAC Name]
Hydrogénophosphonate de (2S)-3-(6-amino-9H-purin-9-yl)-2-hydroxypropyle [French] [ACD/IUPAC Name]
Phosphonic acid, mono[(2S)-3-(6-amino-9H-purin-9-yl)-2-hydroxypropyl] ester [ACD/Index Name]

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

Density:
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -3.48
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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