ChemSpider 2D Image | 2,2',4,4',5,5'-Hexahydroxy-7-(2-hydroxypropyl)-7'-methyl-1,1'-bianthracene-9,9',10,10'-tetrone | C32H22O11

2,2',4,4',5,5'-Hexahydroxy-7-(2-hydroxypropyl)-7'-methyl-1,1'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC32H22O11
  • Average mass582.510 Da
  • Monoisotopic mass582.116211 Da
  • ChemSpider ID78435711

More details:

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

[1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7-(2-hydroxypropyl)-7'-methyl- [ACD/Index Name]
2,2',4,4',5,5'-Hexahydroxy-7-(2-hydroxypropyl)-7'-methyl-1,1'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
2,2',4,4',5,5'-Hexahydroxy-7-(2-hydroxypropyl)-7'-methyl-1,1'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
2,2',4,4',5,5'-Hexahydroxy-7-(2-hydroxypropyl)-7'-méthyl-1,1'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
3-demethyl-3-(2-hydroxypropyl)-skyrin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4532751/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 991.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.4±3.0 kJ/mol
Flash Point: 567.0±30.8 °C
Index of Refraction: 1.790
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 4753.88
ACD/KOC (pH 5.5): 7449.20
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 99.5±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

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