ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C22H26O8

Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC22H26O8
  • Average mass418.437 Da
  • Monoisotopic mass418.162781 Da
  • ChemSpider ID29768286

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-{3-méthoxy-4-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
1351701-36-4 [RN]
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(3-methoxy-4-((2-methylallyl)oxy)phenyl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]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: 625.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 214.9±25.0 °C
    Index of Refraction: 1.567
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 48.84
    ACD/KOC (pH 5.5): 562.40
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 38.75
    ACD/KOC (pH 7.4): 446.14
    Polar Surface Area: 112 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 331.1±3.0 cm3

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