ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-(methylsulfinyl)-2-butanyl]-L-phenylalaninamide | C28H39N3O6S

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-(methylsulfinyl)-2-butanyl]-L-phenylalaninamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID9975383

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-(hydroxymethyl)-3-(methylsulfinyl)propyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-(methylsulfinyl)-2-butanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-(methylsulfinyl)-2-butanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-(méthylsulfinyl)-2-butanyl]-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: 873.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.0±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.68
ACD/KOC (pH 5.5): 594.27
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.66
ACD/KOC (pH 7.4): 594.04
Polar Surface Area: 153 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 446.7±3.0 cm3

Click to predict properties on the Chemicalize site


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