ChemSpider 2D Image | 6-O-Malonyldaidzin free acid | C24H22O12

6-O-Malonyldaidzin free acid

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID21468755

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

124590-31-4 [RN]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-8-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 3-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
6-O-Malonyldaidzin free acid
β-D-Glucopyranoside, 3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl, 6-(2-carboxyacetate) [ACD/Index Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-8-yl-6-O-(carboxyacetyl)-?-D-glucopyranoside
6-O-Malonyldaidzin
6''-O-MALONYLDAIDZIN
malonyl daidzin

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 824.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.7±3.0 kJ/mol
    Flash Point: 284.0±27.8 °C
    Index of Refraction: 1.669
    Molar Refractivity: 117.5±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): -2.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 189 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 82.7±3.0 dyne/cm
    Molar Volume: 314.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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