ChemSpider 2D Image | 1,3,4,6,8,13-Hexahydroxy-11-(hydroxymethyl)-10-methyl-1,13a-dihydrophenanthro[1,10,9,8-opqra]perylene-7,14-dione | C30H18O9

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

  • Molecular FormulaC30H18O9
  • Average mass522.458 Da
  • Monoisotopic mass522.095093 Da
  • ChemSpider ID111337974

More details:

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

1,3,4,6,8,13-Hexahydroxy-11-(hydroxymethyl)-10-methyl-1,13a-dihydrophenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-11-(hydroxymethyl)-10-methyl-1,13a-dihydrophenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-11-(hydroxyméthyl)-10-méthyl-1,13a-dihydrophénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,13a-dihydro-1,3,4,6,8,13-hexahydroxy-11-(hydroxymethyl)-10-methyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 802.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 453.1±30.8 °C
Index of Refraction: 1.997
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 147.3±5.0 dyne/cm
Molar Volume: 261.1±5.0 cm3

Click to predict properties on the Chemicalize site


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