3-O-Sulfo-D-Glucuronic Acid

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Properties Simple | Detailed

Formula C6H10O10S
IUPAC Name (2s,3r,4s,5r)-2,3,5-trihydroxy-6-oxo-4-sulfooxy-hexanoic acid
Molecular Mass 274.203 g·mol−1
Heat of Formation -1756.3 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 266.72 Å 3
Surface Area 230.78 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2,3,5-trihydroxy-6-keto-4-sulfoxy-hexanoic acid
  • (2s,3r,4s,5r)-2,3,5-trihydroxy-6-oxo-4-sulfooxy-hexanoic acid
  • (2s,3r,4s,5r)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acid
  • 3-sulfoglucuronic acid
  • d-glucuronic acid, 3-(hydrogen sulfate)
  • glucuronate 3-sulfate
  • glucuronic acid 3-sulfate
CAS Number(s)
  • 110231-93-1
InChIKey DLJXFFATZRGSBR-SKNVOMKLSA-N
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