ChemSpider 2D Image | 2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2-carboxylic acid | C30H20O9

2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2-carboxylic acid

  • Molecular FormulaC30H20O9
  • Average mass524.474 Da
  • Monoisotopic mass524.110718 Da
  • ChemSpider ID4478877

More details:

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

[9,9'-Bianthracene]-2-carboxylic acid, 9,9',10,10'-tetrahydro-2',4,4',5,5'-pentahydroxy-7'-methyl-10,10'-dioxo- [ACD/Index Name]
2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracen-2-carbonsäure [German] [ACD/IUPAC Name]
2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2-carboxylic acid [ACD/IUPAC Name]
Acide 2',4,4',5,5'-pentahydroxy-7'-méthyl-10,10'-dioxo-9,9',10,10'-tétrahydro-9,9'-bianthracène-2-carboxylique [French] [ACD/IUPAC Name]
4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene-2-carboxylic acid
4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl)-9H-anthracene-2-carboxylic acid
9,9',10,10'-Tetrahydro-2',4,4',5,5'-pentahydroxy-7'-methyl-10,10'-dioxo-[9,9'-bianthracene]-2-carboxylic acid
Reidin A
Rheidin A

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 787.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 444.1±29.4 °C
Index of Refraction: 1.797
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 1407.15
ACD/KOC (pH 5.5): 1573.11
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 14.68
ACD/KOC (pH 7.4): 16.41
Polar Surface Area: 173 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 95.8±3.0 dyne/cm
Molar Volume: 319.7±3.0 cm3

Click to predict properties on the Chemicalize site


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