ChemSpider 2D Image | 3-(2-Cyanophenyl)-5-[4-(methoxycarbonyl)benzyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C30H24N4O8

3-(2-Cyanophenyl)-5-[4-(methoxycarbonyl)benzyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC30H24N4O8
  • Average mass568.534 Da
  • Monoisotopic mass568.159424 Da
  • ChemSpider ID2633008

More details:

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

3-(2-Cyanophenyl)-5-[4-(methoxycarbonyl)benzyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
3-(2-Cyanphenyl)-5-[4-(methoxycarbonyl)benzyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
Acide 3-(2-cyanophényl)-5-[4-(méthoxycarbonyl)benzyl]-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2-cyanophenyl)octahydro-5-[[4-(methoxycarbonyl)phenyl]methyl]-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: 1.5±0.1 g/cm3
Boiling Point: 854.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 470.3±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 8.37
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.70
Polar Surface Area: 183 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 377.0±5.0 cm3

Click to predict properties on the Chemicalize site


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