ChemSpider 2D Image | MFCD00063279 | C22H28O13

MFCD00063279

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID112246

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

276-744-7 [EINECS]
2H-1-Benzopyran-2-one, 7-((4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-4-methyl-
2H-1-Benzopyran-2-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-Methylumbelliferyl b-D-cellobioside
4-Methylumbelliferyl β-cellobioside
4-Methylumbelliferyl β-D-cellobiopyranoside
4-Methylumbelliferyl β-D-cellobioside
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 830.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 126.5±3.0 kJ/mol
    Flash Point: 286.0±27.8 °C
    Index of Refraction: 1.677
    Molar Refractivity: 113.7±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: -1.53
    ACD/LogD (pH 5.5): -1.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.86
    ACD/LogD (pH 7.4): -1.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.86
    Polar Surface Area: 205 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 94.8±5.0 dyne/cm
    Molar Volume: 301.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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