ChemSpider 2D Image | 7,8,10,11,13,14-Hexahydroxy-3-(hydroxymethyl)-4-methylphenanthro[1,10,9,8-opqra]perylene-1,6-dione | C30H16O9

7,8,10,11,13,14-Hexahydroxy-3-(hydroxymethyl)-4-methylphenanthro[1,10,9,8-opqra]perylene-1,6-dione

  • Molecular FormulaC30H16O9
  • Average mass520.443 Da
  • Monoisotopic mass520.079407 Da
  • ChemSpider ID78432796

More details:

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

7,8,10,11,13,14-Hexahydroxy-3-(hydroxymethyl)-4-methylphenanthro[1,10,9,8-opqra]perylen-1,6-dion [German] [ACD/IUPAC Name]
7,8,10,11,13,14-Hexahydroxy-3-(hydroxymethyl)-4-methylphenanthro[1,10,9,8-opqra]perylene-1,6-dione [ACD/IUPAC Name]
7,8,10,11,13,14-Hexahydroxy-3-(hydroxyméthyl)-4-méthylphénanthro[1,10,9,8-opqra]pérylène-1,6-dione [French] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-1,6-dione, 7,8,10,11,13,14-hexahydroxy-3-(hydroxymethyl)-4-methyl- [ACD/Index Name]
55954-61-5 [RN]
Pseudohypericin

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

Density: 2.0±0.1 g/cm3
Boiling Point: 882.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 501.2±30.8 °C
Index of Refraction: 2.187
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 531.47
ACD/KOC (pH 5.5): 2141.54
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 176 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 158.3±3.0 dyne/cm
Molar Volume: 263.3±3.0 cm3

Click to predict properties on the Chemicalize site


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