Found 25 results

Search term: MF = 'C_{33}H_{40}N_{2}O_{10}'
ChemSpider 2D Image | 6,6'-[(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-5-methoxyphenyl)-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 | C33H40N2O10

6,6'-[(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-5-methoxyphenyl)-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 FormulaC33H40N2O10
  • Average mass624.678 Da
  • Monoisotopic mass624.268311 Da
  • ChemSpider ID5070242

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

6,6'-[(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-5-methoxyphenyl)-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'-[(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-5-methoxyphenyl)-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'-[(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-hydroxy-5-méthoxyphényl)-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-5-methoxyphenyl)-1,3,7,9-tetraoxo-, (3aS,6R,6aS,9aR,10aS,10bR)- [ACD/Index Name]
DAP1_001137
DAP2_000370

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

Density: 1.4±0.1 g/cm3
Boiling Point: 888.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.1±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.36
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

Click to predict properties on the Chemicalize site


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