ChemSpider 2D Image | 2,2',3,3',7,7'-Hexahydroxy-9,9'-dimethoxy-6H,6'H-1,1'-bibenzo[c]chromene-6,6'-dione | C28H18O12

2,2',3,3',7,7'-Hexahydroxy-9,9'-dimethoxy-6H,6'H-1,1'-bibenzo[c]chromene-6,6'-dione

  • Molecular FormulaC28H18O12
  • Average mass546.435 Da
  • Monoisotopic mass546.079834 Da
  • ChemSpider ID28289569

More details:

Featured data source
Natural Product Updates

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

[1,1'-Bi-6H-dibenzo[b,d]pyran]-6,6'-dione, 2,2',3,3',7,7'-hexahydroxy-9,9'-dimethoxy- [ACD/Index Name]
2,2',3,3',7,7'-Hexahydroxy-9,9'-dimethoxy-6H,6'H-1,1'-bibenzo[c]chromen-6,6'-dion [German] [ACD/IUPAC Name]
2,2',3,3',7,7'-Hexahydroxy-9,9'-dimethoxy-6H,6'H-1,1'-bibenzo[c]chromene-6,6'-dione [ACD/IUPAC Name]
2,2',3,3',7,7'-Hexahydroxy-9,9'-diméthoxy-6H,6'H-1,1'-bibenzo[c]chromène-6,6'-dione [French] [ACD/IUPAC Name]
verrulactone A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 991.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 337.0±27.8 °C
Index of Refraction: 1.773
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 702.84
ACD/KOC (pH 5.5): 3555.31
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 22.93
Polar Surface Area: 192 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 91.6±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

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