2,3-Di-O-Sulfo-α-D-Glucopyranose

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Formula C6H12O12S2
IUPAC Name [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 340.282 g·mol−1
Heat of Formation -2169.6 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 308.99 Å 3
Surface Area 270.91 Å 2
HOMO Energy -10.87 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-4-tetrahydropyranyl] hydrogen sulfate
  • [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-oxan-4-yl] hydrogen sulfate
  • [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate
  • [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
  • [(2s,3r,4s,5r,6r)-2,5-dihydroxy-6-methylol-3-sulfoxy-tetrahydropyran-4-yl] hydrogen sulfate
  • pdx
InChIKey ORUZACWROKWTRH-DVKNGEFBSA-N
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Elements H C S O