ChemSpider 2D Image | 5-(2,6-Diethylphenyl)-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C34H35N3O10

5-(2,6-Diethylphenyl)-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID2909336

More details:

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

5-(2,6-Diethylphenyl)-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
5-(2,6-Diethylphenyl)-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(2,6-diéthylphényl)-3-[3,5-diméthoxy-2-(méthoxycarbonyl)phényl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-(2,6-diethylphenyl)-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]octahydro-1-[(4-nitrophenyl)methyl]-4,6-dioxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.4±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: 480.8±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 24.11
ACD/KOC (pH 5.5): 67.66
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 8.53
ACD/KOC (pH 7.4): 23.92
Polar Surface Area: 177 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 483.8±3.0 cm3

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