(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-Dihydroxy-6-(Sulfooxy)Tetrahydro-2H-Pyran-4-Yl]Oxy}-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C13H21NO15S
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfooxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 463.369 g·mol−1
Heat of Formation -2686.1 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 465.85 Å 3
Surface Area 387.33 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfooxy-oxan-4-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfooxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfoxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-sulfooxy-4-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • chondroitin polysulfate
  • chondroitin sulfate
  • chondroitin sulfates
  • chondroitin sulfuric acid
  • chondroitin sulfuric acids
  • chondroitin sulphate
  • chondroitin, hydrogen sulfate
  • chonsurid
CAS Number(s)
  • 24967-93-9
  • 25322-46-7
  • 11120-14-2
  • 56480-79-6
  • 9046-20-2
  • 9062-29-7
  • 9082-07-9
  • 9088-44-2
  • 9007-28-7
InChIKey KXKPYJOVDUMHGS-OSRGNVMNSA-N
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