ChemSpider 2D Image | (3aS,6aS)-2-(Dimethylcarbamoyl)-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid | C15H25N7O3

(3aS,6aS)-2-(Dimethylcarbamoyl)-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid

  • Molecular FormulaC15H25N7O3
  • Average mass351.404 Da
  • Monoisotopic mass351.201874 Da
  • ChemSpider ID29680730

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-2-(Dimethylcarbamoyl)-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-carbonsäure [German] [ACD/IUPAC Name]
(3aS,6aS)-2-(Dimethylcarbamoyl)-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid [ACD/IUPAC Name]
Acide (3aS,6aS)-2-(diméthylcarbamoyl)-5-[3-(5-méthyl-1H-tétrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, 2-[(dimethylamino)carbonyl]hexahydro-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]-, (3aS,6aS)- [ACD/Index Name]
(3aS*,6aS*)-2-[(dimethylamino)carbonyl]-5-[3-(5-methyl-1H-tetrazol-1-yl)propyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

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