1-Deoxyaltrojirimycin

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Properties Simple | Detailed

Formula C6H13NO4
IUPAC Name (2r,3r,4s,5r)-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Mass 163.172 g·mol−1
Heat of Formation -775.6 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 187.56 Å 3
Surface Area 178.08 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(hydroxymethyl)piperidine-3,4,5-triol
  • (2r,3r,4s,5r)-2-methylolpiperidine-3,4,5-triol
InChIKey LXBIFEVIBLOUGU-KAZBKCHUSA-N
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