ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-5-ethoxy-5-oxo-1-phenyl-3-pentyn-2-yl]-L-phenylalaninamide | C36H41N3O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-5-ethoxy-5-oxo-1-phenyl-3-pentyn-2-yl]-L-phenylalaninamide

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID8364627

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-4-ethoxy-4-oxo-1-(phenylmethyl)-2-butyn-1-yl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-5-ethoxy-5-oxo-1-phenyl-3-pentin-2-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-5-ethoxy-5-oxo-1-phenyl-3-pentyn-2-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-5-éthoxy-5-oxo-1-phényl-3-pentyn-2-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 864.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.5±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 171.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 81677.73
ACD/KOC (pH 5.5): 114199.17
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 81646.34
ACD/KOC (pH 7.4): 114155.30
Polar Surface Area: 123 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 520.2±3.0 cm3

Click to predict properties on the Chemicalize site


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