ChemSpider 2D Image | 3-[2-(Benzyloxy)-3-methoxyphenyl]-1-sec-butyl-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C31H31N3O8

3-[2-(Benzyloxy)-3-methoxyphenyl]-1-sec-butyl-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID2995195

More details:

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

3-[2-(Benzyloxy)-3-methoxyphenyl]-1-sec-butyl-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-[2-(Benzyloxy)-3-methoxyphenyl]-1-sec-butyl-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-[2-(benzyloxy)-3-méthoxyphényl]-1-sec-butyl-5-(3-nitrophényl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-3-[3-methoxy-2-(phenylmethoxy)phenyl]-1-(1-methylpropyl)-5-(3-nitrophenyl)-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: 792.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 433.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 23.27
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 19.54
Polar Surface Area: 151 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 431.3±3.0 cm3

Click to predict properties on the Chemicalize site


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