4-O-(2,3-Di-O-Sulfo-β-D-Xylopyranosyl)-2,3-Di-O-Sulfo-β-D-Xylopyranose

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Properties Simple | Detailed

Formula C10H18O21S4
IUPAC Name [(2r,3r,4s,5r)-2-hydroxy-5-[(2s,3r,4s,5r)-5-hydroxy-3,4-disulfooxy-tetrahydropyran-2-yl]oxy-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 602.497 g·mol−1
Heat of Formation -3724.3 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 524.35 Å 3
Surface Area 397.78 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r)-2-hydroxy-5-[(2s,3r,4s,5r)-5-hydroxy-3,4-disulfooxy-oxan-2-yl]oxy-3-sulfooxy-oxan-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5r)-2-hydroxy-5-[(2s,3r,4s,5r)-5-hydroxy-3,4-disulfooxy-tetrahydropyran-2-yl]oxy-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5r)-2-hydroxy-5-[(2s,3r,4s,5r)-5-hydroxy-3,4-disulfoxy-tetrahydropyran-2-yl]oxy-3-sulfoxy-tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5r)-2-hydroxy-5-[[(2s,3r,4s,5r)-5-hydroxy-3,4-disulfooxy-2-tetrahydropyranyl]oxy]-3-sulfooxy-4-tetrahydropyranyl] hydrogen sulfate
  • pentosan polysulfate
  • pentosan sulfuric polyester
  • polypentose sulfate
  • xylan, hydrogen sulfate
CAS Number(s)
  • 11096-31-4
  • 37300-21-3
  • 39432-58-1
  • 42613-02-5
InChIKey FCCNSUIJIOOXEZ-SJYYZXOBSA-N
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