ChemSpider 2D Image | 1,3,4,6,7,16-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-8,15-dione | C30H18O9

1,3,4,6,7,16-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-8,15-dione

  • Molecular FormulaC30H18O9
  • Average mass522.458 Da
  • Monoisotopic mass522.095093 Da
  • ChemSpider ID107562331

More details:

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

1,3,4,6,7,16-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylen-8,15-dion [German] [ACD/IUPAC Name]
1,3,4,6,7,16-Hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-8,15-dione [ACD/IUPAC Name]
1,3,4,6,7,16-Hexahydroxy-10-(hydroxyméthyl)-13-méthyldibenzo[a,o]pérylène-8,15-dione [French] [ACD/IUPAC Name]
Dibenzo[a,o]perylene-8,15-dione, 1,3,4,6,7,16-hexahydroxy-10-(hydroxymethyl)-13-methyl- [ACD/Index Name]
54328-09-5 [RN]
Protopseudohypericin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1158.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.3±3.0 kJ/mol
Flash Point: 668.1±30.8 °C
Index of Refraction: 2.001
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 19.79
ACD/KOC (pH 5.5): 73.33
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 176 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 147.2±5.0 dyne/cm
Molar Volume: 272.5±5.0 cm3

Click to predict properties on the Chemicalize site


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