(5S)-5-[(2S)-2-Amino-2-Carboxyethyl]-4,5-Dihydro-1,2-Oxazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H10N2O5
IUPAC Name (5s)-5-[(2s)-2-amino-2-carboxy-ethyl]-4,5-dihydroisoxazole-3-carboxylic acid
Molecular Mass 202.165 g·mol−1
Heat of Formation -719.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 223.71 Å 3
Surface Area 217.71 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid
  • (5s)-5-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-4,5-dihydroisoxazole-3-carboxylic acid
  • (5s)-5-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
  • (5s)-5-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-4,5-dihydroisoxazole-3-carboxylic acid
  • (5s)-5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
  • (5s)-5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-4,5-dihydroisoxazole-3-carboxylic acid
  • da3
InChIKey AUXNPKGXCSBLJK-IMJSIDKUSA-N
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