ChemSpider 2D Image | 1,4',5,5',8-Pentahydroxy-2',6-dimethyl-2,9'-bianthracene-9,10,10'(9'H)-trione | C30H20O8

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

  • Molecular FormulaC30H20O8
  • Average mass508.475 Da
  • Monoisotopic mass508.115814 Da
  • ChemSpider ID387421

More details:

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

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

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

NSC610689 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 737.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 413.9±29.4 °C
Index of Refraction: 1.778
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 9.00
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 313090.47
ACD/KOC (pH 5.5): 279380.19
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 3491.21
ACD/KOC (pH 7.4): 3115.31
Polar Surface Area: 152 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

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