ChemSpider 2D Image | N-Acetyl-L-leucyl-N-[(1E,4S)-3-oxo-1-(phenylsulfonyl)-1-octen-4-yl]-L-leucinamide | C28H43N3O6S

N-Acetyl-L-leucyl-N-[(1E,4S)-3-oxo-1-(phenylsulfonyl)-1-octen-4-yl]-L-leucinamide

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID34226076

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-acetyl-L-leucyl-N-[(1S)-1-[(2E)-1-oxo-3-(phenylsulfonyl)-2-propen-1-yl]pentyl]- [ACD/Index Name]
N-Acetyl-L-leucyl-N-[(1E,4S)-3-oxo-1-(phenylsulfonyl)-1-octen-4-yl]-L-leucinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-leucyl-N-[(1E,4S)-3-oxo-1-(phenylsulfonyl)-1-octen-4-yl]-L-leucinamide [ACD/IUPAC Name]
N-Acétyl-L-leucyl-N-[(1E,4S)-3-oxo-1-(phénylsulfonyl)-1-octén-4-yl]-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 814.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.3±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.39
ACD/KOC (pH 5.5): 846.69
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.39
ACD/KOC (pH 7.4): 846.69
Polar Surface Area: 147 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 488.3±3.0 cm3

Click to predict properties on the Chemicalize site


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