ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-2-oxo-3-hexanyl]-L-leucinamide | C27H43N3O5

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-2-oxo-3-hexanyl]-L-leucinamide

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID23014372

  • 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)-1-acetyl-3-methylbutyl]- [ACD/Index Name]
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-2-oxo-3-hexanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-2-oxo-3-hexanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-méthyl-2-oxo-3-hexanyl]-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: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.505
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.21
ACD/KOC (pH 5.5): 2296.42
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.08
ACD/KOC (pH 7.4): 2295.55
Polar Surface Area: 114 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 459.4±3.0 cm3

Click to predict properties on the Chemicalize site


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