ChemSpider 2D Image | N-Acetyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nalpha-methyl-L-phenylalaninamide | C42H49N5O5

N-Acetyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl-L-phenylalaninamide

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID24713879

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-acetyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl- [ACD/Index Name]
N-Acetyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-N-methyl-L-phenylalanyl-Nα-methyl-L-phenylalaninamide [ACD/IUPAC Name]
N-Acetyl-N-methylphenylalanyl-N-methylphenylalanyl-N-methylphenylalanyl-Nα-methylphenylalaninamid [German] [ACD/IUPAC Name]
N-Acétyl-N-méthylphénylalanyl-N-méthylphénylalanyl-N-méthylphénylalanyl-Nα-méthylphénylalaninamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510335/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 923.6±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: 512.4±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3714.39
ACD/KOC (pH 5.5): 12500.26
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3714.39
ACD/KOC (pH 7.4): 12500.27
Polar Surface Area: 124 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 588.3±3.0 cm3

Click to predict properties on the Chemicalize site


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