ChemSpider 2D Image | 1,1',8,8'-Tetrahydroxy-3,3'-bis(hydroxymethyl)-2,2'-bianthracene-9,9',10,10'-tetrone | C30H18O10

1,1',8,8'-Tetrahydroxy-3,3'-bis(hydroxymethyl)-2,2'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID387411

More details:

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

[2,2'-Bianthracene]-9,9',10,10'-tetrone, 1,1',8,8'-tetrahydroxy-3,3'-bis(hydroxymethyl)- [ACD/Index Name]
1,1',8,8'-Tetrahydroxy-3,3'-bis(hydroxymethyl)-2,2'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
1,1',8,8'-Tetrahydroxy-3,3'-bis(hydroxymethyl)-2,2'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
1,1',8,8'-Tétrahydroxy-3,3'-bis(hydroxyméthyl)-2,2'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
1,1',8,8'-Tetrahydroxy-3,3'-dihydroxymethyl(2,2'-bianthracene)-9,9',10,10'-tetrone
Aloe-emodin dimer
From the bark of Rhamnus purshiana
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461918/

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

NSC608622 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 942.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 537.7±30.8 °C
Index of Refraction: 1.811
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 420.79
ACD/KOC (pH 5.5): 1436.78
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 104.3±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

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