ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoate | C21H26O8

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

  • Molecular FormulaC21H26O8
  • Average mass406.426 Da
  • Monoisotopic mass406.162781 Da
  • ChemSpider ID27327434

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-isopropoxy-3-méthoxyphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[3-methoxy-4-(1-methylethoxy)phenyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1324092-64-9 [RN]
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxy-3-methoxyphenyl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoate
ETHYL 3-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]-3-(4-ISOPROPOXY-3-METHOXYPHENYL)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: 605.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.6±3.0 kJ/mol
    Flash Point: 209.1±25.0 °C
    Index of Refraction: 1.562
    Molar Refractivity: 103.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 2.12
    ACD/BCF (pH 5.5): 24.08
    ACD/KOC (pH 5.5): 338.99
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 19.07
    ACD/KOC (pH 7.4): 268.50
    Polar Surface Area: 112 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 320.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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