ChemSpider 2D Image | N-[(2S)-1-(Dihydroxyboryl)-3-phenyl-2-propanyl]-L-alaninamide | C12H19BN2O3

N-[(2S)-1-(Dihydroxyboryl)-3-phenyl-2-propanyl]-L-alaninamide

  • Molecular FormulaC12H19BN2O3
  • Average mass250.102 Da
  • Monoisotopic mass250.148880 Da
  • ChemSpider ID34519837
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Boronic acid, B-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-phenylpropyl]- [ACD/Index Name]
N-[(2S)-1-(Dihydroxyboryl)-3-phenyl-2-propanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2S)-1-(Dihydroxyboryl)-3-phenyl-2-propanyl]-L-alaninamide [ACD/IUPAC Name]
N-[(2S)-1-(Dihydroxyboryl)-3-phényl-2-propanyl]-L-alaninamide [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: 1.543
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 96 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 215.6±3.0 cm3

Click to predict properties on the Chemicalize site






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