ChemSpider 2D Image | 1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl(2,5-~2~H_2_)phenanthro[1,10,9,8-opqra]perylene-7,14-dione | C30H14D2O8

1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl(2,5-2H2)phenanthro[1,10,9,8-opqra]perylene-7,14-dione

  • Molecular FormulaC30H14D2O8
  • Average mass506.456 Da
  • Monoisotopic mass506.097076 Da
  • ChemSpider ID115008953

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl(2,5-2H2)phenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl(2,5-2H2)phenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-diméthyl(2,5-2H2)phénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione-2,5-d2, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl- [ACD/Index Name]
Hypericin-d2

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1020.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.2±3.0 kJ/mol
Flash Point: 584.6±30.8 °C
Index of Refraction: 2.131
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 555802.81
ACD/KOC (pH 5.5): 445036.91
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 101610.36
ACD/KOC (pH 7.4): 81360.44
Polar Surface Area: 156 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 150.3±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

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