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

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Properties Simple | Detailed

Formula C6H12N2O5
IUPAC Name (3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime
Molecular Mass 192.170 g·mol−1
Heat of Formation -772.2 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 209.26 Å 3
Surface Area 194.93 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
  • (3s,4s,5r,6r)-2-(hydroxyamino)-6-(hydroxymethyl)-3,4,5,6-tetrahydropyridine-3,4,5-triol
  • (3s,4s,5r,6r)-2-(hydroxyamino)-6-methylol-3,4,5,6-tetrahydropyridine-3,4,5-triol
  • d-gluconhydroximo-1,5-lactam
  • gox
InChIKey VBXHGXTYZGYTQG-SQOUGZDYSA-N
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