ChemSpider 2D Image | (3S)-3-Hydroxy-4-methoxy-4-oxobutanoic acid | C5H8O5

(3S)-3-Hydroxy-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC5H8O5
  • Average mass148.114 Da
  • Monoisotopic mass148.037170 Da
  • ChemSpider ID18997643

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-, 1-methyl ester, (2S)- [ACD/Index Name]
(2R)-
(2R)-Hydroxybutanedioic Acid 1-Methyl Ester
(R)-2-HYDROXYSUCCINIC ACID METHYL ESTER
(S)-2-HYDROXYSUCCINIC ACID METHYL ESTER
(S)-3-hydroxy-4-methoxy-4-oxobutanoic acid
66212-45-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 318.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±6.0 kJ/mol
    Flash Point: 138.7±18.6 °C
    Index of Refraction: 1.473
    Molar Refractivity: 30.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.36
    ACD/LogD (pH 5.5): -2.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 11.9±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 107.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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