(2S)-2-Ammonio-3-(5-Oxo-1,2-Oxazol-2(5H)-Yl)Propanoate

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Properties Simple | Detailed

Formula C6H8N2O4
IUPAC Name (2s)-2-amino-3-[(2r)-5-oxoisoxazol-2-yl]propanoic acid
Molecular Mass 172.139 g·mol−1
Heat of Formation -466.0 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 190.96 Å 3
Surface Area 190.29 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(5-ketoisoxazol-2-yl)propionic acid
  • (2s)-2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid
  • (2s)-2-amino-3-(5-oxo-2-isoxazolyl)propanoic acid
  • (2s)-2-amino-3-(5-oxoisoxazol-2-yl)propanoic acid
  • (isoxazolin-5-on-2-yl)alanine
  • (s)-alpha-amino-5-oxo-2(5h)-isoxazolepropanoic acid
  • 2(5h)-isoxazolepropanoic acid, alpha-amino-5-oxo-, (s)-
  • beta-(isoxazolin-5-on-2-yl)alanine
  • bioya
CAS Number(s)
  • 59476-61-8
InChIKey BDHFFHBFJUZSBF-BYPYZUCNSA-N
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