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

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7ClN2O4
IUPAC Name (2s)-2-amino-2-[(4s,5r)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
Molecular Mass 194.573 g·mol−1
Heat of Formation -528.3 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 195.92 Å 3
Surface Area 190.29 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-[(4s,5r)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (2s)-2-amino-2-[(4s,5r)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • (2s)-2-amino-2-[(4s,5r)-3-chloro-4-hydroxy-4,5-dihydroisoxazol-5-yl]acetic acid
  • (alpha-s,4s,5r)-alpha-amino-3-chloro-4-hydroxy-4,5-dihydro-5-isoxazoleacetic acid
  • 4-hydroxyacivicin
  • hydroxy acivicin
  • u 43,795
  • u 43795
  • u-43,795
  • u-43795
CAS Number(s)
  • 54549-02-9
InChIKey KUYDILDQEMQBKJ-XZIMBLGRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl