ChemSpider 2D Image | 5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside | C25H23O13

5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside

  • Molecular FormulaC25H23O13
  • Average mass531.443 Da
  • Monoisotopic mass531.114441 Da
  • ChemSpider ID26331254

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(carboxylatoacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxylatoacétyl)-β-D-glucopyranoside de 5-hydroxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate), ion(1-) [ACD/Index Name]
Biochanin A 7-O-&β;-D-glucoside 6''-O-malonate
biochanin A 7-O-(6-O-malonyl-&β;-D-glucoside)
biochanin A 7-O-(6-O-malonyl-β-D-glucoside)
Biochanin A 7-O-β-D-glucoside 6''-O-malonate

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

Density:
Boiling Point: 848.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 288.2±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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