ChemSpider 2D Image | 1,3,4,6,8,13-Hexahydroxy-10,11-bis[(~2~H_3_)methyl](~2~H_4_)phenanthro[1,10,9,8-opqra]perylene-7,14-dione | C30H6D10O8

1,3,4,6,8,13-Hexahydroxy-10,11-bis[(2H3)methyl](2H4)phenanthro[1,10,9,8-opqra]perylene-7,14-dione

  • Molecular FormulaC30H6D10O8
  • Average mass514.505 Da
  • Monoisotopic mass514.147278 Da
  • ChemSpider ID58779976
  • 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-bis[(2H3)methyl](2H4)phenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-bis[(2H3)methyl](2H4)phenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-bis[(2H3)méthyl](2H4)phénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione-2,5,9,12-d4, 1,3,4,6,8,13-hexahydroxy-10,11-di(methyl-d3)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 930.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 530.1±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): 101609.91
ACD/KOC (pH 7.4): 81360.08
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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