ChemSpider 2D Image | Methyl 4-(5-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}-2-furyl)benzoate | C23H22O9

Methyl 4-(5-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}-2-furyl)benzoate

  • Molecular FormulaC23H22O9
  • Average mass442.415 Da
  • Monoisotopic mass442.126373 Da
  • ChemSpider ID28471418

More details:

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

4-(5-{3-Éthoxy-1-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}-2-furyl)benzoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[5-[4-(methoxycarbonyl)phenyl]-2-furanyl]-4-oxo-, ethyl ester [ACD/Index Name]
Methyl 4-(5-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}-2-furyl)benzoate [ACD/IUPAC Name]
Methyl-4-(5-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}-2-furyl)benzoat [German] [ACD/IUPAC Name]
1324087-40-2 [RN]
AGN-PC-0BHRE3
AKOS022113565
MCULE-3569259906
methyl 4-(5-(3-ethoxy-1-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-oxopropyl)furan-2-yl)benzoate
methyl 4-(5-{3-ethoxy-1-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-oxopropyl}furan-2-yl)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 650.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±3.0 kJ/mol
    Flash Point: 347.4±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 109.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 69.51
    ACD/KOC (pH 5.5): 723.81
    ACD/LogD (pH 7.4): 2.60
    ACD/BCF (pH 7.4): 52.33
    ACD/KOC (pH 7.4): 544.88
    Polar Surface Area: 133 Å2
    Polarizability: 43.6±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 324.6±3.0 cm3

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