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

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Properties Simple | Detailed

Formula C6H12N2O4
IUPAC Name (2r,3r,4s,5r)-6-amino-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
Molecular Mass 176.170 g·mol−1
Heat of Formation -695.5 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 200.48 Å 3
Surface Area 190.15 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5r,6r)-2-amino-6-(hydroxymethyl)-3,4,5,6-tetrahydropyridine-3,4,5-triol
  • (3r,4s,5r,6r)-2-amino-6-methylol-3,4,5,6-tetrahydropyridine-3,4,5-triol
  • 3,4,5-pyridinetriol, 6-amino-2,3,4,5-tetrahydro-2-(hydroxymethyl)-, (2r-(2alpha,3beta,4alpha,5alpha))-
  • mannonolactam amidrazone
CAS Number(s)
  • 145196-57-2
InChIKey KIFBXZRNIGNERW-MBMOQRBOSA-N
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