(1R,2S,3R,1'R,2'S,3'R)-1,1'-Pyrazine-2,5-Diyldibutane-1,2,3,4-Tetrol

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Formula C12H20N2O8
IUPAC Name (1r,2s,3r)-1-[5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
Molecular Mass 320.296 g·mol−1
Heat of Formation -1413.7 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 355.32 Å 3
Surface Area 307.52 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3r)-1-[5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-2-pyrazinyl]butane-1,2,3,4-tetrol
  • (1r,2s,3r)-1-[5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
  • 1,2,3,4-butanetetrol, 1,1'-(2,5-pyrazinediyl)bis-, (1r-(1r*,1'*,2s*,2's*,3r,3r*))
  • 1,2,3,4-butanetetrol, 1,1'-(2,5-pyrazinediyl)bis-, [1r-(1r*,1'*,2s*,2's*,3r,3r*)]
  • fructosazine
CAS Number(s)
  • 13185-73-4
InChIKey NPWQIVOYGNUVEB-PAUJSFGCSA-N
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