ChemSpider 2D Image | DICATENARIN | C30H18O12

DICATENARIN

  • Molecular FormulaC30H18O12
  • Average mass570.457 Da
  • Monoisotopic mass570.079834 Da
  • ChemSpider ID52085362

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',8,8'-octahydroxy-7,7'-dimethyl- [ACD/Index Name]
1065-08-3 [RN]
2,2',4,4',5,5',8,8'-Octahydroxy-7,7'-dimethyl-1,1'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
2,2',4,4',5,5',8,8'-Octahydroxy-7,7'-dimethyl-1,1'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
2,2',4,4',5,5',8,8'-Octahydroxy-7,7'-diméthyl-1,1'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
DICATENARIN

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

0ZSD49BY0Q [DBID]
UNII:0ZSD49BY0Q [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1056.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.0±3.0 kJ/mol
Flash Point: 606.2±30.8 °C
Index of Refraction: 1.851
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 62313.74
ACD/KOC (pH 5.5): 40797.75
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 230 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 117.9±3.0 dyne/cm
Molar Volume: 314.0±3.0 cm3

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