ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide | C28H47N3O6S

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide

  • Molecular FormulaC28H47N3O6S
  • Average mass553.754 Da
  • Monoisotopic mass553.318542 Da
  • ChemSpider ID35034877

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-3-methyl-1-[2-(methylsulfonyl)ethyl]butyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)-3-hexanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-méthyl-1-(méthylsulfonyl)-3-hexanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(3s)-5-Methyl-1-(Methylsulfonyl)hexan-3-Yl]-L-Leucinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 784.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.57
ACD/KOC (pH 5.5): 2335.77
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.44
ACD/KOC (pH 7.4): 2334.90
Polar Surface Area: 139 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 499.8±3.0 cm3

Click to predict properties on the Chemicalize site


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