ChemSpider 2D Image | formononetin 7-O-glucoside-6''-O-malonate | C25H24O12

formononetin 7-O-glucoside-6''-O-malonate

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID21615451

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
34232-16-1 [RN]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
formononetin 7-O-glucoside-6''-O-malonate
Formononetin-7-O-β-D-glucoside-6"-O-malonate
β-D-Glucopyranoside, 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate) [ACD/Index Name]
3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside; 7-hydroxy-4'-methoxyisoflavone 7-O-β-(6'-O-malonylglucoside)
Formononetin 7-O-(6''-malonylglucoside)
Formononetin 7-O-glucoside-6''-malonate
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyisoflavone that is formononetin attached to a 6-<element>O</element>-(carboxyacetyl)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkag e. ChEBI CHEBI:80389
      A glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkag; e. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80389
      A glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. ChEBI CHEBI:80389

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

Density: 1.5±0.1 g/cm3
Boiling Point: 794.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 270.6±26.4 °C
Index of Refraction: 1.638
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

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