ChemSpider 2D Image | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE | C16H21ClN2O3

(2S) N-ACETYL-L-ALANYL-αL-PHENYLALANYL-CHLOROETHYLKETONE

  • Molecular FormulaC16H21ClN2O3
  • Average mass324.802 Da
  • Monoisotopic mass324.124084 Da
  • ChemSpider ID25057340

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S) N-ACETYL-L-ALANYL-αL-PHENYLALANYL-CHLOROETHYLKETONE
N2-Acetyl-N-[(2S)-5-chlor-3-oxo-1-phenyl-2-pentanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N2-Acetyl-N-[(2S)-5-chloro-3-oxo-1-phenyl-2-pentanyl]-L-alaninamide [ACD/IUPAC Name]
N2-Acétyl-N-[(2S)-5-chloro-3-oxo-1-phényl-2-pentanyl]-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-(acetylamino)-N-[(1S)-4-chloro-2-oxo-1-(phenylmethyl)butyl]-, (2S)- [ACD/Index Name]
(2S) N-acetyl-L-alanyl-??L-phenylalanyl-chloroethylketone
(2S)-N-[(2S)-5-chloro-3-oxo-1-phenylpentan-2-yl]-2-acetamidopropanamide
N2-Acetyl-N-[(2S)-5-chloro-3-oxo-1-phenyl-2-pentanyl]-L-alaninamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 141.60
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 141.60
Polar Surface Area: 75 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

Click to predict properties on the Chemicalize site


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