ChemSpider 2D Image | 1,1',6,6',8,8'-Hexahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone | C30H18O10

1,1',6,6',8,8'-Hexahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID8590291

More details:

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

[2,2'-Bianthracene]-9,9',10,10'-tetrone, 1,1',6,6',8,8'-hexahydroxy-3,3'-dimethyl- [ACD/Index Name]
1,1',6,6',8,8'-Hexahydroxy-3,3'-dimethyl-2,2'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
1,1',6,6',8,8'-Hexahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
1,1',6,6',8,8'-Hexahydroxy-3,3'-diméthyl-2,2'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
1,6,8,1',6',8'-Hexahydroxy-3,3'-dimethyl-[2,2']bianthracenyl-9,10,9',10'-tetraone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460264/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 917.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 522.6±30.8 °C
Index of Refraction: 1.808
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 28942.59
ACD/KOC (pH 5.5): 30584.29
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 190 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 100.6±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

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