Found 1 result

Search term: KSTMMFCURGNHNW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl-2,9'-bianthracene-9,10,10'(9'H)-trione | C30H20O8

1,4',5',8,9'-Pentahydroxy-2',6-dimethyl-2,9'-bianthracene-9,10,10'(9'H)-trione

  • Molecular FormulaC30H20O8
  • Average mass508.475 Da
  • Monoisotopic mass508.115814 Da
  • ChemSpider ID10320851

More details:

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

[2,9'-Bianthracene]-9,10,10'(9'H)-trione, 1,4',5',8,9'-pentahydroxy-2',6-dimethyl- [ACD/Index Name]
1,4',5',8,9'-Pentahydroxy-2',6-dimethyl-2,9'-bianthracen-9,10,10'(9'H)-trion [German] [ACD/IUPAC Name]
1,4',5',8,9'-Pentahydroxy-2',6-dimethyl-2,9'-bianthracene-9,10,10'(9'H)-trione [ACD/IUPAC Name]
1,4',5',8,9'-Pentahydroxy-2',6-diméthyl-2,9'-bianthracène-9,10,10'(9'H)-trione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 874.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 496.3±30.8 °C
Index of Refraction: 1.785
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 27795.01
ACD/KOC (pH 5.5): 48176.11
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 94.65
ACD/KOC (pH 7.4): 164.06
Polar Surface Area: 152 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 91.5±3.0 dyne/cm
Molar Volume: 318.1±3.0 cm3

Click to predict properties on the Chemicalize site


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