ChemSpider 2D Image | N-[(1S)-1-(Dihydroxyboryl)-3-methylbutyl]-Nalpha-(2-pyrazinylcarbonyl)-D-(2,3,4,5,6-~2~H_5_)phenylalaninamide | C19H20D5BN4O4

N-[(1S)-1-(Dihydroxyboryl)-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-D-(2,3,4,5,6-2H5)phenylalaninamide

  • Molecular FormulaC19H20D5BN4O4
  • Average mass389.268 Da
  • Monoisotopic mass389.228271 Da
  • ChemSpider ID58781482

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Boronic acid, B-[(1S)-3-methyl-1-[[(2R)-1-oxo-3-(phenyl-d5)-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]- [ACD/Index Name]
N-[(1S)-1-(Dihydroxyboryl)-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-D-(2,3,4,5,6-2H5)phenylalaninamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(Dihydroxyboryl)-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-D-(2,3,4,5,6-2H5)phenylalaninamide [ACD/IUPAC Name]
N-[(1S)-1-(Dihydroxyboryl)-3-méthylbutyl]-Nα-(2-pyrazinylcarbonyl)-D-(2,3,4,5,6-2H5)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.65
ACD/KOC (pH 5.5): 249.27
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.60
ACD/KOC (pH 7.4): 248.40
Polar Surface Area: 124 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

Click to predict properties on the Chemicalize site


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