ChemSpider 2D Image | Dimethyl 1,6,8,10,13,14-hexahydroxy-7,11-dioxo-3,3a,7,11-tetrahydrophenanthro[1,10,9,8-opqra]perylene-3,4-dicarboxylate | C32H18O12

Dimethyl 1,6,8,10,13,14-hexahydroxy-7,11-dioxo-3,3a,7,11-tetrahydrophenanthro[1,10,9,8-opqra]perylene-3,4-dicarboxylate

  • Molecular FormulaC32H18O12
  • Average mass594.478 Da
  • Monoisotopic mass594.079834 Da
  • ChemSpider ID8005775

More details:

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

1,6,8,10,13,14-Hexahydroxy-7,11-dioxo-3,3a,7,11-tétrahydrophénanthro[1,10,9,8-opqra]pérylène-3,4-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 1,6,8,10,13,14-hexahydroxy-7,11-dioxo-3,3a,7,11-tetrahydrophenanthro[1,10,9,8-opqra]perylene-3,4-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1,6,8,10,13,14-hexahydroxy-7,11-dioxo-3,3a,7,11-tetrahydrophenanthro[1,10,9,8-opqra]perylen-3,4-dicarboxylat [German] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-3,4-dicarboxylic acid, 3,3a,7,11-tetrahydro-1,6,8,10,13,14-hexahydroxy-7,11-dioxo-, dimethyl ester [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 924.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 309.7±27.8 °C
Index of Refraction: 1.950
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 83.55
ACD/KOC (pH 5.5): 187.42
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 135.0±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

Click to predict properties on the Chemicalize site


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