ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate | C19H20O9

Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID29771955

More details:

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

1,3-Benzodioxole-5-propanoic acid, β-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-7-methoxy-, methyl ester [ACD/Index Name]
3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(7-méthoxy-1,3-benzodioxol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]
1574467-92-7 [RN]
MCULE-6540645721
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
MolPort-028-855-785

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 572.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.2±3.0 kJ/mol
    Flash Point: 203.2±23.6 °C
    Index of Refraction: 1.582
    Molar Refractivity: 94.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 9.21
    ACD/KOC (pH 5.5): 170.29
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 6.31
    ACD/KOC (pH 7.4): 116.69
    Polar Surface Area: 110 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 282.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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