A-D-Glucothiopyranose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2s,3r,4s,5s,6r)-6-(hydroxymethyl)tetrahydrothiopyran-2,3,4,5-tetrol
Molecular Mass 196.221 g·mol−1
Heat of Formation -957.5 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 211.74 Å 3
Surface Area 195.35 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-6-(hydroxymethyl)tetrahydrothiopyran-2,3,4,5-tetrol
  • (2s,3r,4s,5s,6r)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol
  • (2s,3r,4s,5s,6r)-6-methyloltetrahydrothiopyran-2,3,4,5-tetrol
  • 5-deoxy-5-thio-alpha-d-glucose
  • 5-thio-d-glucose
InChIKey KNWYARBAEIMVMZ-DVKNGEFBSA-N
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