ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate | C21H19O11

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC21H19O11
  • Average mass447.370 Da
  • Monoisotopic mass447.093292 Da
  • ChemSpider ID31150391

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-7-(β-D-glucopyranosyloxy)-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-, ion(1-) [ACD/Index Name]
Luteolin 7-O-β-D-glucoside
luteolin 7-O-β-D-glucoside(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (acc; ording to Marvin v 6.2.0.). ChEBI CHEBI:77791
      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77791

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

Density:
Boiling Point: 838.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 296.8±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.09
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement