1,3,4,6-Tetra-O-Sulfo-β-D-Fructofuranosyl 2,3,4,6-Tetra-O-Sulfo-Alpha-D-Glucopyranoside

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Formula C12H22O35S8
IUPAC Name [(2r,3r,4s,5r,6r)-2-[(2s,3s,4r,5r)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 982.802 g·mol−1
Heat of Formation -6223.1 ± 16.7 kJ·mol−1
Dipole Moment 10.90 ± 1.08 D
Volume 828.13 Å 3
Surface Area 565.6 Å 2
HOMO Energy -10.95 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4r,5r)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[(2r,3r,4s,5r,6r)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxolan-3-yl] hydrogen sulfate
  • [(2s,3s,4r,5r)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[(2r,3r,4s,5r,6r)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-3-yl] hydrogen sulfate
  • [(2s,3s,4r,5r)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[(2r,3r,4s,5r,6r)-3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] hydrogen sulfate
  • [(2s,3s,4r,5r)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[[(2r,3r,4s,5r,6r)-3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydrofuranyl] hydrogen sulfate
  • [(2s,3s,4r,5r)-4-sulfoxy-2,5-bis(sulfoxymethyl)-2-[(2r,3r,4s,5r,6r)-3,4,5-trisulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] hydrogen sulfate
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InChIKey WEPNHBQBLCNOBB-UGDNZRGBSA-N
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