3-(3-Hydroxy-1,2-Oxazol-5-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C6H8N2O4
IUPAC Name (2s)-2-amino-3-(3-oxoisoxazol-5-yl)propanoic acid
Molecular Mass 172.139 g·mol−1
Heat of Formation -492.9 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 191.53 Å 3
Surface Area 187.82 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-ketoisoxazol-5-yl)propionic acid
  • (2s)-2-amino-3-(3-oxo-1,2-oxazol-5-yl)propanoic acid
  • (2s)-2-amino-3-(3-oxo-5-isoxazolyl)propanoic acid
  • (2s)-2-amino-3-(3-oxoisoxazol-5-yl)propanoic acid
  • pdsp1_001437
  • pdsp2_001421
InChIKey PEHXWVXZPICGAV-BYPYZUCNSA-N
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