ChemSpider 2D Image | (2S,3S)-3-(4-Fluorophenyl)-2,3-dihydroxypropanoic acid | C9H9FO4

(2S,3S)-3-(4-Fluorophenyl)-2,3-dihydroxypropanoic acid

  • Molecular FormulaC9H9FO4
  • Average mass200.164 Da
  • Monoisotopic mass200.048492 Da
  • ChemSpider ID25057390

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-(4-Fluorophenyl)-2,3-dihydroxypropanoic acid [ACD/IUPAC Name]
(2S,3S)-3-(4-Fluorphenyl)-2,3-dihydroxypropansäure [German] [ACD/IUPAC Name]
Acide (2S,3S)-3-(4-fluorophényl)-2,3-dihydroxypropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-fluoro-α,β-dihydroxy-, (αS,βS)- [ACD/Index Name]

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

295 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 409.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 133.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement