ChemSpider 2D Image | Combretol | C20H20O8


  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID21131195

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-3,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
Combretol [Wiki]
myricetin 3,7,3',4',5'-pentamethyl ether
  • Miscellaneous
    • Chemical Class:

      A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3<apostrophe/>, 4<apostrophe/> and 5<apostrophe/> have been replaced by methoxy groups. It has been isolated from <ital>Combretum quadrangulare</ital>. ChEBI CHEBI:70005

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 210.6±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 110.35
ACD/KOC (pH 5.5): 949.63
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 6.97
ACD/KOC (pH 7.4): 59.94
Polar Surface Area: 93 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

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