ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate | C20H24O9

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

  • Molecular FormulaC20H24O9
  • Average mass408.399 Da
  • Monoisotopic mass408.142029 Da
  • ChemSpider ID29771195

More details:






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

3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(methoxymethyl)-4-oxo-β-(3,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574485-07-6 [RN]
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 570.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±3.0 kJ/mol
    Flash Point: 196.9±23.6 °C
    Index of Refraction: 1.548
    Molar Refractivity: 101.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 7.11
    ACD/KOC (pH 5.5): 141.46
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 4.81
    ACD/KOC (pH 7.4): 95.62
    Polar Surface Area: 110 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 319.5±3.0 cm3

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