(2S)-5-Oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-2-Pyrrolidinecarboxylic Acid

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Formula C11H19NO8
IUPAC Name (2s)-5-oxo-1-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid
Molecular Mass 293.270 g·mol−1
Heat of Formation -1590.5 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 324.12 Å 3
Surface Area 286.51 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-keto-1-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]proline
  • (2s)-5-oxo-1-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid
  • 1-(1-deoxy-d-mannitol-1-yl)-5-oxo-l-proline
  • agrapinic acid
  • agropinic acid
  • l-proline, 1-(1-deoxy-d-mannitol-1-yl)-5-oxo-
CAS Number(s)
  • 74474-75-2
InChIKey JSDKIRAEXWDIPM-SZWOQXJISA-N
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