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

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

  • Molecular FormulaC19H22O9
  • Average mass394.373 Da
  • Monoisotopic mass394.126373 Da
  • ChemSpider ID29771282

More details:

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

3-(4-Hydroxy-3,5-diméthoxyphényl)-3-[3-hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-(4-hydroxy-3,5-dimethoxyphenyl)-6-(methoxymethyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1574478-09-3 [RN]
MCULE-2000316040
methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate
MolPort-028-855-124

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 587.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.3±3.0 kJ/mol
    Flash Point: 207.0±23.6 °C
    Index of Refraction: 1.572
    Molar Refractivity: 96.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.12
    ACD/KOC (pH 5.5): 78.42
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 2.16
    ACD/KOC (pH 7.4): 54.44
    Polar Surface Area: 121 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 294.0±3.0 cm3

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