ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olate | C15H9O8

2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olate

  • Molecular FormulaC15H9O8
  • Average mass317.228 Da
  • Monoisotopic mass317.030304 Da
  • ChemSpider ID26330900
  • Charge - Charge


More details:






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

2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5,7,8-trihydroxy-4-oxo-4H-chromén-3-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-, ion(1-) [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-4-oxo-4H-chromen-7-olate
3,3',4',5,7,8-Hexahydroxyflavone
3,3',4',5,7,8-hexahydroxyflavone (OLD)
gossypetin anion
gossypetin(1-)
gossypetin-3-olate
More...
  • Miscellaneous
    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of gossypetin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77862
      The conjugate base of gossypetin arising from selective deprotonation of the hydroxy group at the 3-position; major species at pH 7.3. ChEBI CHEBI:57759

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 260.6±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 102.63
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.56
Polar Surface Area: 151 Å2
Polarizability:
Surface Tension:
Molar Volume:

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