ChemSpider 2D Image | [(1R)-3-Methyl-1-({N-[(6-phenyl-2-pyridinyl)carbonyl]-L-allothreonyl}amino)butyl]boronic acid | C21H28BN3O5

[(1R)-3-Methyl-1-({N-[(6-phenyl-2-pyridinyl)carbonyl]-L-allothreonyl}amino)butyl]boronic acid

  • Molecular FormulaC21H28BN3O5
  • Average mass413.275 Da
  • Monoisotopic mass413.212189 Da
  • ChemSpider ID59053089

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R)-3-Methyl-1-({N-[(6-phenyl-2-pyridinyl)carbonyl]-L-allothreonyl}amino)butyl]boronic acid [ACD/IUPAC Name]
[(1R)-3-Methyl-1-({N-[(6-phenyl-2-pyridinyl)carbonyl]-L-allothreonyl}amino)butyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-3-méthyl-1-({N-[(6-phényl-2-pyridinyl)carbonyl]-L-allothréonyl}amino)butyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-1-[[(2S,3S)-3-hydroxy-1-oxo-2-[[(6-phenyl-2-pyridinyl)carbonyl]amino]butyl]amino]-3-methylbutyl]- [ACD/Index 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: 1.563
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.59
ACD/KOC (pH 5.5): 259.89
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.53
ACD/KOC (pH 7.4): 259.00
Polar Surface Area: 132 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

Click to predict properties on the Chemicalize site


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