ChemSpider 2D Image | 4-[(E)-(6-Hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2-methoxyphenyl beta-D-galactopyranoside | C22H22O10

4-[(E)-(6-Hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2-methoxyphenyl β-D-galactopyranoside

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID29770835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3(2H)-Benzofuranone, 2-[[4-(β-D-galactopyranosyloxy)-3-methoxyphenyl]methylene]-6-hydroxy-, (2E)- [ACD/Index Name]
4-[(E)-(6-Hydroxy-3-oxo-1-benzofuran-2(3H)-yliden)methyl]-2-methoxyphenyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4-[(E)-(6-Hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2-methoxyphenyl β-D-galactopyranoside [ACD/IUPAC Name]
β-D-Galactopyranoside de 4-[(E)-(6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidène)méthyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
(2E)-6-hydroxy-2-[[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidene]-1-benzofuran-3-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 769.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 117.6±3.0 kJ/mol
    Flash Point: 270.9±26.4 °C
    Index of Refraction: 1.708
    Molar Refractivity: 110.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: -0.23
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.73
    ACD/LogD (pH 7.4): -0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.30
    Polar Surface Area: 155 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 83.8±3.0 dyne/cm
    Molar Volume: 283.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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