ChemSpider 2D Image | 5-(4-Acetylphenyl)-1-[3-(carbamoylamino)propyl]-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C29H32N4O10

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

  • Molecular FormulaC29H32N4O10
  • Average mass596.585 Da
  • Monoisotopic mass596.211853 Da
  • ChemSpider ID2935628

More details:

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

5-(4-Acetylphenyl)-1-[3-(carbamoylamino)propyl]-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
5-(4-Acetylphenyl)-1-[3-(carbamoylamino)propyl]-3-[3,5-dimethoxy-2-(methoxycarbonyl)phenyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(4-acétylphényl)-1-[3-(carbamoylamino)propyl]-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-carboxylic acid, 5-(4-acetylphenyl)-1-[3-[(aminocarbonyl)amino]propyl]-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: 882.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.6±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 148.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 439.7±3.0 cm3

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