ChemSpider 2D Image | Ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C19H22O9

Ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC19H22O9
  • Average mass394.373 Da
  • Monoisotopic mass394.126373 Da
  • ChemSpider ID28635472

More details:

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

3-(4-Hydroxy-3,5-diméthoxyphényl)-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1351691-07-0 [RN]
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)propanoate
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 637.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.0±3.0 kJ/mol
    Flash Point: 226.4±25.0 °C
    Index of Refraction: 1.592
    Molar Refractivity: 96.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): 0.75
    ACD/BCF (pH 5.5): 2.19
    ACD/KOC (pH 5.5): 60.88
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.71
    ACD/KOC (pH 7.4): 47.51
    Polar Surface Area: 132 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 285.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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