ChemSpider 2D Image | Protopseudohypericin | C30H18O9

Protopseudohypericin

  • Molecular FormulaC30H18O9
  • Average mass522.458 Da
  • Monoisotopic mass522.095093 Da
  • ChemSpider ID4590328

More details:






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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1019.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.9±3.0 kJ/mol
Flash Point: 584.0±30.8 °C
Index of Refraction: 1.952
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 63907.74
ACD/KOC (pH 5.5): 84140.75
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 132.50
ACD/KOC (pH 7.4): 174.45
Polar Surface Area: 176 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 125.9±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site






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