(2R,3R,4S,5R)-6-[(4-Aminobutyl)Amino]-2-(Hydroxymethyl)-2,3,4,5-Tetrahydro-3,4,5-Pyridinetriol

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Formula C10H21N3O4
IUPAC Name (2z,3r,4s,5r,6r)-2-(4-aminobutylimino)-6-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Mass 247.291 g·mol−1
Heat of Formation -753.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 303.24 Å 3
Surface Area 265.75 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 3.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5r,6r)-2-(4-aminobutylamino)-6-(hydroxymethyl)-3,4,5,6-tetrahydropyridine-3,4,5-triol
  • (3r,4s,5r,6r)-2-(4-aminobutylamino)-6-methylol-3,4,5,6-tetrahydropyridine-3,4,5-triol
InChIKey ZLLQXILWWIGNJJ-HXFLIBJXSA-N
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