ChemSpider 2D Image | 7-Methyl 5-(2-methyl-2-propanyl) (3S,5S,7R,7aS)-1-benzyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate | C26H32N2O4

7-Methyl 5-(2-methyl-2-propanyl) (3S,5S,7R,7aS)-1-benzyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate

  • Molecular FormulaC26H32N2O4
  • Average mass436.543 Da
  • Monoisotopic mass436.236206 Da
  • ChemSpider ID26993653

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,5S,7R,7aS)-1-Benzyl-3-phénylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate de 7-méthyle et de 5-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid, hexahydro-3-phenyl-1-(phenylmethyl)-, 5-(1,1-dimethylethyl) 7-methyl ester, (3S,5S,7R,7aS)- [ACD/Index Name]
7-Methyl 5-(2-methyl-2-propanyl) (3S,5S,7R,7aS)-1-benzyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate [ACD/IUPAC Name]
7-Methyl-5-(2-methyl-2-propanyl)-(3S,5S,7R,7aS)-1-benzyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazol-5,7-dicarboxylat [German] [ACD/IUPAC Name]
(3S,5S,7R,7aS)-1-Benzyl-5-t-butoxycarbonyl-7-methoxycarbonyl-3-phenylhexahydropyrrolo[1,2-a]imidazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.6±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1732.47
ACD/KOC (pH 5.5): 7139.95
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1819.67
ACD/KOC (pH 7.4): 7499.30
Polar Surface Area: 59 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 362.1±5.0 cm3

Click to predict properties on the Chemicalize site


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