6-[(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-1-Piperidinyl]Hexanoic Acid

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Properties Simple | Detailed

Formula C12H23NO6
IUPAC Name 6-[(1r,2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidyl]hexanoic acid
Molecular Mass 277.314 g·mol−1
Heat of Formation -1228.6 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 339.5 Å 3
Surface Area 301.68 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-((5-carboxypentyl)imino)-1,5-dideoxy-d-glucitol
  • 6-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidyl]hexanoic acid
  • 6-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
  • 6-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-methylol-1-piperidyl]hexanoic acid
  • cpdnj
  • d-glucitol, 1,5-((5-carboxypentyl)imino)-1,5-dideoxy-
  • n-(5'-carboxypentyl)-1-deoxynojirimycin
CAS Number(s)
  • 79206-51-2
InChIKey KTNVTDIFZTZBJY-RBLKWDMZSA-N
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