ChemSpider 2D Image | [(1R)-3-Methyl-1-{[N-(2-quinoxalinylcarbonyl)-L-phenylalanyl]amino}butyl]boronic acid | C23H27BN4O4

[(1R)-3-Methyl-1-{[N-(2-quinoxalinylcarbonyl)-L-phenylalanyl]amino}butyl]boronic acid

  • Molecular FormulaC23H27BN4O4
  • Average mass434.296 Da
  • Monoisotopic mass434.212524 Da
  • ChemSpider ID129239981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R)-1-{[N-(2-Chinoxalinylcarbonyl)-L-phenylalanyl]amino}-3-methylbutyl]borsäure [German] [ACD/IUPAC Name]
[(1R)-3-Methyl-1-{[N-(2-quinoxalinylcarbonyl)-L-phenylalanyl]amino}butyl]boronic acid [ACD/IUPAC Name]
Acide [(1R)-3-méthyl-1-{[N-(2-quinoxalinylcarbonyl)-L-phénylalanyl]amino}butyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-quinoxalinylcarbonyl)amino]propyl]amino]butyl]- [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: 1.605
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.63
ACD/KOC (pH 5.5): 1030.17
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.58
ACD/KOC (pH 7.4): 1020.65
Polar Surface Area: 124 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement