ChemSpider 2D Image | 3-(3-Bromo-4,5-dihydro-1,2-oxazol-5-yl)-L-alanine | C6H9BrN2O3

3-(3-Bromo-4,5-dihydro-1,2-oxazol-5-yl)-L-alanine

  • Molecular FormulaC6H9BrN2O3
  • Average mass237.051 Da
  • Monoisotopic mass235.979645 Da
  • ChemSpider ID109116729

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-(3-Brom-4,5-dihydro-1,2-oxazol-5-yl)-L-alanin [German] [ACD/IUPAC Name]
3-(3-Bromo-4,5-dihydro-1,2-oxazol-5-yl)-L-alanine [ACD/IUPAC Name]
3-(3-Bromo-4,5-dihydro-1,2-oxazol-5-yl)-L-alanine [French] [ACD/IUPAC Name]
5-Isoxazolepropanoic acid, α-amino-3-bromo-4,5-dihydro-, (αS)- [ACD/Index Name]
(2S)-2-amino-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)propanoic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 364.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 174.2±29.6 °C
Index of Refraction: 1.671
Molar Refractivity: 43.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 115.7±7.0 cm3

Click to predict properties on the Chemicalize site


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