ChemSpider 2D Image | 1-(Carboxymethyl)-5-cyclohexyl-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C25H30N2O10

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

  • Molecular FormulaC25H30N2O10
  • Average mass518.513 Da
  • Monoisotopic mass518.190063 Da
  • ChemSpider ID2978363

More details:

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

1-(Carboxymethyl)-5-cyclohexyl-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
1-(Carboxymethyl)-5-cyclohexyl-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 1-(carboxyméthyl)-5-cyclohexyl-3-[3,5-diméthoxy-2-(méthoxycarbonyl)phényl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-acetic acid, 1-carboxy-5-cyclohexyl-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]octahydro-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: 780.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 425.9±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

Click to predict properties on the Chemicalize site


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