ChemSpider 2D Image | (2R)-2-Hydroxy-4-oxo-4-(~2~H_5_)phenylbutanoic acid | C10H5D5O4

(2R)-2-Hydroxy-4-oxo-4-(2H5)phenylbutanoic acid

  • Molecular FormulaC10H5D5O4
  • Average mass199.215 Da
  • Monoisotopic mass199.089294 Da
  • ChemSpider ID48062716

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-Hydroxy-4-oxo-4-(2H5)phenylbutanoic acid [ACD/IUPAC Name]
(2R)-2-Hydroxy-4-oxo-4-(2H5)phenylbutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-hydroxy-4-oxo-4-(2H5)phénylbutanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-butanoic acid, α-hydroxy-γ-oxo-, (αR)- [ACD/Index Name]
(2R)-2-hydroxy-4-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butanoic acid
1286934-16-4 [RN]
2-(R)-HYDROXY-4-OXO-4-PHENYLBUTYRIC-D5 ACID

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 232.3±22.4 °C
    Index of Refraction: 1.578
    Molar Refractivity: 48.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -1.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 146.5±3.0 cm3

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