ChemSpider 2D Image | 6''-O-MALONYLGENISTIN | C24H22O13

6''-O-MALONYLGENISTIN

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID21468864

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

51011-05-3 [RN]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-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 5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
6''-O-MALONYLGENISTIN
β-D-Glucopyranoside, 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl, 6-(2-carboxyacetate) [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-β-L-galactopyranoside
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl6-O-(carboxyacetyl)-?-D-glucopyranoside
6"-O-Malonylgenistin
6-O-Malonylgenistin free acid
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: 882.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.4±3.0 kJ/mol
    Flash Point: 302.7±27.8 °C
    Index of Refraction: 1.687
    Molar Refractivity: 119.4±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): -1.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 210 Å2
    Polarizability: 47.3±0.5 10-24cm3
    Surface Tension: 89.9±3.0 dyne/cm
    Molar Volume: 313.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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