ChemSpider 2D Image | 4-[6-(2-Hydroxy-1-naphthyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]butanoic acid | C35H32N2O7

4-[6-(2-Hydroxy-1-naphthyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]butanoic acid

  • Molecular FormulaC35H32N2O7
  • Average mass592.638 Da
  • Monoisotopic mass592.220947 Da
  • ChemSpider ID3589717

More details:

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

4-[6-(2-Hydroxy-1-naphthyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]butanoic acid [ACD/IUPAC Name]
4-[6-(2-Hydroxy-1-naphthyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[6-(2-hydroxy-1-naphtyl)-6a-méthyl-1,3,7,9-tétraoxo-8-phényl-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodécahydroisoindolo[5,6-e]isoindol-2(1H)-yl]butanoïque [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-2(1H)-butanoic acid, 3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-6-(2-hydroxy-1-naphthalenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 871.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 481.0±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 159.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 31.68
ACD/KOC (pH 5.5): 218.23
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 132 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

Click to predict properties on the Chemicalize site


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