ChemSpider 2D Image | (2S,3S)-3-Amino-3-(3-fluorophenyl)-2-hydroxypropanoic acid | C9H10FNO3

(2S,3S)-3-Amino-3-(3-fluorophenyl)-2-hydroxypropanoic acid

  • Molecular FormulaC9H10FNO3
  • Average mass199.179 Da
  • Monoisotopic mass199.064468 Da
  • ChemSpider ID26563956

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Amino-3-(3-fluorophenyl)-2-hydroxypropanoic acid [ACD/IUPAC Name]
(2S,3S)-3-Amino-3-(3-fluorphenyl)-2-hydroxypropansäure [German] [ACD/IUPAC Name]
1217649-15-4 [RN]
Acide (2S,3S)-3-amino-3-(3-fluorophényl)-2-hydroxypropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3-fluoro-α-hydroxy-, (αS,βS)- [ACD/Index Name]
(2S,3S)-3-Amino-3-(3-fluorophenyl)-2-hydroxypropanoicacid
(2S,3S)-3-Amino-3-(3-fluoro-phenyl)-2-hydroxy-propionic acid
[1217649-15-4] [RN]
1391375-81-7 [RN]
MFCD07367578 [MDL number]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 397.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 193.9±27.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 47.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 139.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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