2-O-Sulfo-α-L-Idopyranuronic Acid

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Properties Simple | Detailed

Formula C6H10O10S
IUPAC Name (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 274.203 g·mol−1
Heat of Formation -1826.3 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 257.11 Å 3
Surface Area 228.41 Å 2
HOMO Energy -10.61 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfooxy-2-tetrahydropyrancarboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfooxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfooxyoxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid
  • 2-o-sulfo-a-l-iduronic acid
  • 2si
InChIKey COJBCAMFZDFGFK-VCSGLWQLSA-N
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