ChemSpider 2D Image | 5-(2,6-Diethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C31H31N3O8

5-(2,6-Diethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID2909355

More details:

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

5-(2,6-Diethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
5-(2,6-Diethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(2,6-diéthylphényl)-3-(4-hydroxy-3-méthoxyphényl)-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)octahydro-3-(4-hydroxy-3-methoxyphenyl)-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: 1.4±0.1 g/cm3
Boiling Point: 837.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 24.44
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 11.11
Polar Surface Area: 162 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site


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