ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olate | C17H13O8

2-(3,4-Dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC17H13O8
  • Average mass345.281 Da
  • Monoisotopic mass345.061584 Da
  • ChemSpider ID31150386

  • Charge - Charge

More details:

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

2-(3,4-Dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-6-hydroxy-3,7-diméthoxy-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-, ion(1-) [ACD/Index Name]
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77769

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

Density:
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 255.7±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 11.78
ACD/KOC (pH 5.5): 186.60
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.79
Polar Surface Area: 129 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement