ChemSpider 2D Image | 1,6,8,10,11,13-Hexahydroxy-12-iodo-4-methyl-7,14-dioxo-7,14-dihydrophenanthro[1,10,9,8-opqra]perylene-3-carboxylic acid | C30H13IO10

1,6,8,10,11,13-Hexahydroxy-12-iodo-4-methyl-7,14-dioxo-7,14-dihydrophenanthro[1,10,9,8-opqra]perylene-3-carboxylic acid

  • Molecular FormulaC30H13IO10
  • Average mass660.323 Da
  • Monoisotopic mass659.955322 Da
  • ChemSpider ID28479626

More details:

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

1,6,8,10,11,13-Hexahydroxy-12-iod-4-methyl-7,14-dioxo-7,14-dihydrophenanthro[1,10,9,8-opqra]perylen-3-carbonsäure [German] [ACD/IUPAC Name]
1,6,8,10,11,13-Hexahydroxy-12-iodo-4-methyl-7,14-dioxo-7,14-dihydrophenanthro[1,10,9,8-opqra]perylene-3-carboxylic acid [ACD/IUPAC Name]
Acide 1,6,8,10,11,13-hexahydroxy-12-iodo-4-méthyl-7,14-dioxo-7,14-dihydrophénanthro[1,10,9,8-opqra]pérylène-3-carboxylique [French] [ACD/IUPAC Name]
Phenanthro[1,10,9,8-opqra]perylene-3-carboxylic acid, 7,14-dihydro-1,6,8,10,11,13-hexahydroxy-12-iodo-4-methyl-7,14-dioxo- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1025.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 573.9±34.3 °C
Index of Refraction: 2.193
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 2015.07
ACD/KOC (pH 5.5): 1135.60
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 65.44
ACD/KOC (pH 7.4): 36.88
Polar Surface Area: 193 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 170.7±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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