ChemSpider 2D Image | N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-(2,3,3-~2~H_3_)alanyl-L-(O,2-~2~H_2_)proline | C20H23D5N2O5

N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-(2,3,3-2H3)alanyl-L-(O,2-2H2)proline

  • Molecular FormulaC20H23D5N2O5
  • Average mass381.478 Da
  • Monoisotopic mass381.231201 Da
  • ChemSpider ID58791490

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Proline-2-d2, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-2,3,3-d3- [ACD/Index Name]
N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-(2,3,3-2H3)alanyl-L-(O,2-2H2)prolin [German] [ACD/IUPAC Name]
N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-(2,3,3-2H3)alanyl-L-(O,2-2H2)proline [ACD/IUPAC Name]
N-[(2S)-1-Éthoxy-1-oxo-4-phényl-2-butanyl]-L-(2,3,3-2H3)alanyl-L-(O,2-2H2)proline [French] [ACD/IUPAC Name]
349554-01-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 312.6±3.0 cm3

Click to predict properties on the Chemicalize site


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