ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-(4-fluoro-3-oxo-2-butanyl)-D-phenylalaninamide | C21H23FN2O4

Nα-[(Benzyloxy)carbonyl]-N-(4-fluoro-3-oxo-2-butanyl)-D-phenylalaninamide

  • Molecular FormulaC21H23FN2O4
  • Average mass386.417 Da
  • Monoisotopic mass386.164185 Da
  • ChemSpider ID82966206

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1R)-2-[(3-fluoro-1-methyl-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-fluor-3-oxo-2-butanyl)-D-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-fluoro-3-oxo-2-butanyl)-D-phenylalaninamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-fluoro-3-oxo-2-butanyl)-D-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: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.37
ACD/KOC (pH 5.5): 738.54
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.34
ACD/KOC (pH 7.4): 738.23
Polar Surface Area: 85 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


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