(2S)-Amino[(4R,5R)-3-Chloro-4-Hydroxy-4,5-Dihydro-1,2-Oxazol-5-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C5H7ClN2O4
IUPAC Name (2s)-2-amino-2-[(4r,5r)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
Molecular Mass 194.573 g·mol−1
Heat of Formation -524.9 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 198.17 Å 3
Surface Area 192.7 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-[(4r,5r)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (2s)-2-amino-2-[(4r,5r)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • (2s)-2-amino-2-[(4r,5r)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
  • 5-isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-
  • 5-isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-, (4r-(4.alpha.,5.beta.(s*)))-
  • 5-isoxazolecetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydrxoxy-, [4r-[4.alpha.,5.beta.(s*)]]-
  • hydroxy at 125
  • hydroxy-at125
InChIKey KUYDILDQEMQBKJ-ZVHKOUPVSA-N
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Elements H C N O Cl