ChemSpider 2D Image | (2S)-3-Fluoro-2-(phosphonooxy)propanoic acid | C3H6FO6P

(2S)-3-Fluoro-2-(phosphonooxy)propanoic acid

  • Molecular FormulaC3H6FO6P
  • Average mass188.048 Da
  • Monoisotopic mass187.988602 Da
  • ChemSpider ID26326884

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Fluor-2-(phosphonooxy)propansäure [German] [ACD/IUPAC Name]
(2S)-3-Fluoro-2-(phosphonooxy)propanoic acid [ACD/IUPAC Name]
Acide (2S)-3-fluoro-2-(phosphonooxy)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-fluoro-2-(phosphonooxy)-, (2S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 449.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 225.7±31.5 °C
Index of Refraction: 1.476
Molar Refractivity: 29.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -6.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 104.0±3.0 cm3

Click to predict properties on the Chemicalize site


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