ChemSpider 2D Image | 4,4'-[6-(4-Hydroxy-2,6-dimethoxyphenyl)-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]dibutanoic acid | C30H34N2O11

4,4'-[6-(4-Hydroxy-2,6-dimethoxyphenyl)-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]dibutanoic acid

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID4258014

More details:

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

4,4'-[6-(4-Hydroxy-2,6-dimethoxyphenyl)-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]dibutansäure [German] [ACD/IUPAC Name]
4,4'-[6-(4-Hydroxy-2,6-dimethoxyphenyl)-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]dibutanoic acid [ACD/IUPAC Name]
Acide 4,4'-[6-(4-hydroxy-2,6-diméthoxyphényl)-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]dibutanoïque [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-2,8-dibutanoic acid, 1,3,3a,4,6,6a,7,9,9a,10,10a,10b-dodecahydro-6-(4-hydroxy-2,6-dimethoxyphenyl)-1,3,7,9-tetraoxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 934.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 518.9±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 398.3±5.0 cm3

Click to predict properties on the Chemicalize site


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