1-Deoxymannojirimycin

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Properties Simple | Detailed

Formula C6H13NO4
IUPAC Name (2r,3r,4r,5r)-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Mass 163.172 g·mol−1
Heat of Formation -788.1 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 187.46 Å 3
Surface Area 178.65 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-(hydroxymethyl)piperidine-3,4,5-triol
  • (2r,3r,4r,5r)-2-methylolpiperidine-3,4,5-triol
  • 1,5-dideoxy-1,5-imino-d-mannitol
  • 2-hydroxymethyl-piperidine-3,4,5-triol
  • 3,4,5-piperidinetriol, 2-(hydroxymethyl)-, (2r,3r,4r,5r)-
  • bio1_000480
  • bio1_000969
  • bio1_001458
  • d-deoxymannojirimycin
  • deoxymannojirimycin
  • dmj
  • ox5
  • smp2_000289
CAS Number(s)
  • 84444-90-6
InChIKey LXBIFEVIBLOUGU-KVTDHHQDSA-N
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