ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]leucyl-N-[(1E)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]leucinamide | C28H45N3O6S

N-[(Benzyloxy)carbonyl]leucyl-N-[(1E)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]leucinamide

  • Molecular FormulaC28H45N3O6S
  • Average mass551.738 Da
  • Monoisotopic mass551.302917 Da
  • ChemSpider ID4510303

  • Double-bond stereo - Double-bond stereo

More details:

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

Leucinamide, N-[(phenylmethoxy)carbonyl]leucyl-N-[3-methyl-1-[(E)-2-(methylsulfonyl)ethenyl]butyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]leucyl-N-[(1E)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]leucyl-N-[(1E)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]leucyl-N-[(1E)-5-méthyl-1-(méthylsulfonyl)-1-hexén-3-yl]leucinamide [French] [ACD/IUPAC Name]
193482-47-2 [RN]
carbobenzyloxy-Leu-Leu-Leu-vinyl sulfone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.3±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.68
ACD/KOC (pH 5.5): 3473.27
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.45
ACD/KOC (pH 7.4): 3471.96
Polar Surface Area: 139 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 493.5±3.0 cm3

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