(2S,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Oxohexanamide

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Properties Simple | Detailed

Formula C8H14N2O6
IUPAC Name (2s,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexanamide
Molecular Mass 234.207 g·mol−1
Heat of Formation -1100.6 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 268.41 Å 3
Surface Area 247.04 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-keto-hexanamide
  • (2s,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexanamide
  • 2-acdga
  • 2-acetamido-2-deoxy-d-galacturonamide
  • 2-acetamido-2-deoxygalacturonamide
  • d-galacturonamide, 2-(acetylamino)-2-deoxy-, (r-(r*,s*-(e)))-
CAS Number(s)
  • 93790-40-0
InChIKey RVSLEPKUAJVXHK-WNJXEPBRSA-N
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