ChemSpider 2D Image | Methyl 4-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}benzoate | C19H20O8

Methyl 4-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}benzoate

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID27326482

More details:

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

4-{3-Éthoxy-1-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}benzoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[4-(methoxycarbonyl)phenyl]-4-oxo-, ethyl ester [ACD/Index Name]
Methyl 4-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}benzoate [ACD/IUPAC Name]
Methyl-4-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}benzoat [German] [ACD/IUPAC Name]
1324070-15-6 [RN]
methyl 4-[3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-oxopropyl]benzoate
METHYL 4-{3-ETHOXY-1-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]-3-OXOPROPYL}BENZOATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 608.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.0±3.0 kJ/mol
    Flash Point: 217.3±25.0 °C
    Index of Refraction: 1.588
    Molar Refractivity: 93.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 13.59
    ACD/KOC (pH 5.5): 225.05
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 10.43
    ACD/KOC (pH 7.4): 172.65
    Polar Surface Area: 119 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 276.6±3.0 cm3

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