ChemSpider 2D Image | 6,6'-Bieckol | C36H22O18

6,6'-Bieckol

  • Molecular FormulaC36H22O18
  • Average mass742.549 Da
  • Monoisotopic mass742.080627 Da
  • ChemSpider ID121062

More details:






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

[1,1'-Bidibenzo[b,e][1,4]dioxin]-2,2',4,4',7,7',9,9'-octol, 6,6'-bis(3,5-dihydroxyphenoxy)- [ACD/Index Name]
6,6'-Bieckol [Wiki]
6,6'-Bis(3,5-dihydroxyphenoxy)-1,1'-bioxanthren-2,2',4,4',7,7',9,9'-octol [German] [ACD/IUPAC Name]
6,6'-Bis(3,5-dihydroxyphenoxy)-1,1'-bioxanthrene-2,2',4,4',7,7',9,9'-octol [ACD/IUPAC Name]
6,6'-Bis(3,5-dihydroxyphénoxy)-1,1'-bioxanthrène-2,2',4,4',7,7',9,9'-octol [French] [ACD/IUPAC Name]
88095-81-2 [RN]
(1,1'-Bidibenzo(b,e)(1,4)dioxin)-2,2',4,4',7,7',9,9'-octol, 6,6'-bis(3,5-dihydroxyphenoxy)-
4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxyoxanthren-1-yl]oxanthrene-1,3,6,8-tetrol
6,6'-bis(3,5-dihydroxyphenoxy)-(1,1'-bidibenzo[b,e][1,4]dioxin)-2,2',4,4',7,7',9,9'-octol
6,6'-BIS(3,5-DIHYDROXYPHENOXY)-[1,1'-BIOXANTHRENE]-2,2',4,4',7,7',9,9'-OCTOL
  • Miscellaneous
    • Chemical Class:

      A phlorotanin that is 1,1'-bioxanthrene substituted by 3,5-dihydroxyphenoxy groups at position 6 and 6' and hydroxy groups at positions 2, 2', 4, 4', 7, 7', 9 and 9' respectively. It is isolated fro m an edible marine brown alga <ital>Ecklonia cava</ital> and exhibits antioxidant activity. ChEBI CHEBI:65496

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1089.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.5±3.0 kJ/mol
Flash Point: 612.7±34.3 °C
Index of Refraction: 1.866
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 362.78
ACD/KOC (pH 5.5): 2351.28
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 99.67
ACD/KOC (pH 7.4): 645.95
Polar Surface Area: 298 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 125.5±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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