ChemSpider 2D Image | 6-desmethylsideroxylin | C17H14O5

6-desmethylsideroxylin

  • Molecular FormulaC17H14O5
  • Average mass298.290 Da
  • Monoisotopic mass298.084137 Da
  • ChemSpider ID26609912

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methyl- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphényl)-7-méthoxy-8-méthyl-4H-chromén-4-one [French] [ACD/IUPAC Name]
6-desmethylsideroxylin
  • Miscellaneous

    • Chemical Class:

      A monomethoxyflavone that is sideroxylin in which the methyl group at position 6 has been replaced by a hydrogen. It has been isolated from <ital>Hydrastis canadensis</ital> and <ital>Dracaena cochin chinensis</ital>. ChEBI CHEBI:69918
      A monomethoxyflavone that is sideroxylin in which the methyl group at position 6 has been replaced by a hydrogen. It has been isolated from Hydrastis canadensis and Dracaena cochin; chinensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69918
      A monomethoxyflavone that is sideroxylin in which the methyl group at position 6 has been replaced by a hydrogen. It has been isolated from Hydrastis canadensis and Dracaena cochinchinensis. ChEBI CHEBI:69918

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 210.6±23.6 °C
Index of Refraction: 1.656
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 142.60
ACD/KOC (pH 5.5): 1189.53
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 23.75
ACD/KOC (pH 7.4): 198.13
Polar Surface Area: 76 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

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