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Search term: PNRWOFORTRJIMC-HMTLIYDFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-ethylphenylalaninamide | C25H33N3O4

N-[(Benzyloxy)carbonyl]-L-leucyl-N-ethylphenylalaninamide

  • Molecular FormulaC25H33N3O4
  • Average mass439.547 Da
  • Monoisotopic mass439.247101 Da
  • ChemSpider ID23186620

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-[(Benzyloxy)carbonyl]-L-leucyl-N-ethylphenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-ethylphenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-éthylphénylalaninamide [French] [ACD/IUPAC Name]
Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-ethyl- [ACD/Index Name]
[(S)-1-(1-Ethylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 706.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 406.63
ACD/KOC (pH 5.5): 2566.06
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 406.48
ACD/KOC (pH 7.4): 2565.10
Polar Surface Area: 97 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

Click to predict properties on the Chemicalize site


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