ChemSpider 2D Image | Methyl 6a,9a-dichloro-6-[5-(hydroxymethyl)-2-furyl]-8-methyl-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2(1H)-carboxylate | C22H20Cl2N2O8

Methyl 6a,9a-dichloro-6-[5-(hydroxymethyl)-2-furyl]-8-methyl-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2(1H)-carboxylate

  • Molecular FormulaC22H20Cl2N2O8
  • Average mass511.309 Da
  • Monoisotopic mass510.059662 Da
  • ChemSpider ID3570478

More details:

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

6a,9a-Dichloro-6-[5-(hydroxyméthyl)-2-furyl]-8-méthyl-1,3,7,9-tétraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodécahydroisoindolo[5,6-e]isoindole-2(1H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-2(1H)-carboxylic acid, 6a,9a-dichloro-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-6-[5-(hydroxymethyl)-2-furanyl]-8-methyl-1,3,7,9-tetraoxo-, methyl ester [ACD/Index Name]
Methyl 6a,9a-dichloro-6-[5-(hydroxymethyl)-2-furyl]-8-methyl-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindole-2(1H)-carboxylate [ACD/IUPAC Name]
Methyl-6a,9a-dichlor-6-[5-(hydroxymethyl)-2-furyl]-8-methyl-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 696.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.9±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 73.22
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.83
ACD/KOC (pH 7.4): 73.22
Polar Surface Area: 134 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 310.3±5.0 cm3

Click to predict properties on the Chemicalize site


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