ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isobutoxy-3-methoxyphenyl)propanoate | C22H28O8

Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isobutoxy-3-methoxyphenyl)propanoate

  • Molecular FormulaC22H28O8
  • Average mass420.453 Da
  • Monoisotopic mass420.178406 Da
  • ChemSpider ID27322181

More details:

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

3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(4-isobutoxy-3-méthoxyphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[3-methoxy-4-(2-methylpropoxy)phenyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isobutoxy-3-methoxyphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isobutoxy-3-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1324083-53-5 [RN]
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 612.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 209.2±25.0 °C
    Index of Refraction: 1.558
    Molar Refractivity: 108.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 41.06
    ACD/KOC (pH 5.5): 496.65
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 32.49
    ACD/KOC (pH 7.4): 393.01
    Polar Surface Area: 112 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 336.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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