ChemSpider 2D Image | Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C25H34O7

Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID32079905

More details:

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

3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-3-[3-hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3-hydroxy-6-(methoxymethyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1574377-48-2 [RN]
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]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: 539.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±3.0 kJ/mol
    Flash Point: 172.5±23.6 °C
    Index of Refraction: 1.546
    Molar Refractivity: 120.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.97
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1775.52
    ACD/KOC (pH 5.5): 7361.25
    ACD/LogD (pH 7.4): 4.46
    ACD/BCF (pH 7.4): 1339.62
    ACD/KOC (pH 7.4): 5554.02
    Polar Surface Area: 102 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 379.3±3.0 cm3

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