ChemSpider 2D Image | 6,6'-[6-(2-Hydroxy-3-methylphenyl)-1,3,7,9-tetraoxo-1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2,8-diyl]dihexanoic acid | C33H40N2O9

6,6'-[6-(2-Hydroxy-3-methylphenyl)-1,3,7,9-tetraoxo-1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2,8-diyl]dihexanoic acid

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID2887905

More details:






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

6,6'-[6-(2-Hydroxy-3-methylphenyl)-1,3,7,9-tetraoxo-1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2,8-diyl]dihexansäure [German] [ACD/IUPAC Name]
6,6'-[6-(2-Hydroxy-3-methylphenyl)-1,3,7,9-tetraoxo-1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2,8-diyl]dihexanoic acid [ACD/IUPAC Name]
Acide 6,6'-[6-(2-hydroxy-3-méthylphényl)-1,3,7,9-tétraoxo-1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodécahydroisoindolo[5,6-e]isoindole-2,8-diyl]dihexanoïque [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-2,8-dihexanoic acid, 1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydro-6-(2-hydroxy-3-methylphenyl)-1,3,7,9-tetraoxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 863.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 476.2±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 18.69
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site






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