1-Deoxynojirimycin

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Properties Simple | Detailed

Formula C6H13NO4
IUPAC Name (2r,3r,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Mass 163.172 g·mol−1
Heat of Formation -783.3 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 189.58 Å 3
Surface Area 181.9 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol
  • (2r,3r,4r,5s)-2-hydroxymethyl-piperidine-3,4,5-triol
  • (2r,3r,4r,5s)-2-methylolpiperidine-3,4,5-triol
  • 1,5-deoxy-1,5-imino-d-mannitol
  • 1,5-dideoxy-1,5-imino-d-glucitol
  • 1-deoxy-nojirimycin
  • 1-deoxymannojirimycin
  • 3,4,5-piperidinetriol, 2-(hydroxymethyl)-, (2r-(2alpha,3beta,4alpha,5beta))-
  • 73285-50-4 (hcl)
  • bio1_000415
  • bio1_000904
  • bio1_001393
  • dnj
  • dnm
  • noj
  • smp2_000333
CAS Number(s)
  • 19130-96-2
  • 70956-02-4
InChIKey LXBIFEVIBLOUGU-JGWLITMVSA-N
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