ChemSpider 2D Image | (2R,3S)-2,3-Dihydroxy-4-oxobutanoic acid | C4H6O5

(2R,3S)-2,3-Dihydroxy-4-oxobutanoic acid

  • Molecular FormulaC4H6O5
  • Average mass134.087 Da
  • Monoisotopic mass134.021530 Da
  • ChemSpider ID73997542

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,3-Dihydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3S)-2,3-Dihydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3S)-2,3-dihydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-4-oxo-, (2R,3S)- [ACD/Index Name]
1106851-69-7 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 411.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±6.0 kJ/mol
    Flash Point: 216.6±25.2 °C
    Index of Refraction: 1.528
    Molar Refractivity: 25.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.98
    ACD/LogD (pH 5.5): -3.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 10.0±0.5 10-24cm3
    Surface Tension: 85.5±3.0 dyne/cm
    Molar Volume: 82.3±3.0 cm3

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