ChemSpider 2D Image | MPP-PICA | C24H28N2O3

MPP-PICA

  • Molecular FormulaC24H28N2O3
  • Average mass392.491 Da
  • Monoisotopic mass392.209991 Da
  • ChemSpider ID90606592

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[(1-pentyl-1H-indol-3-yl)carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
MPP-PICA
N-[(1-Pentyl-1H-indol-3-yl)carbonyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
methyl (1-pentyl-1H-indole-3-carbonyl)-L-phenylalaninate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.0±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10283.88
ACD/KOC (pH 5.5): 25911.42
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10283.87
ACD/KOC (pH 7.4): 25911.39
Polar Surface Area: 60 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 348.0±7.0 cm3

Click to predict properties on the Chemicalize site


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