6-Thio-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2s,3r,4s,5s,6s)-6-(sulfanylmethyl)tetrahydropyran-2,3,4,5-tetrol
Molecular Mass 196.221 g·mol−1
Heat of Formation -965.4 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 216.28 Å 3
Surface Area 201.03 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6s)-6-(mercaptomethyl)tetrahydropyran-2,3,4,5-tetrol
  • (2s,3r,4s,5s,6s)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
  • (2s,3r,4s,5s,6s)-6-(sulfanylmethyl)tetrahydropyran-2,3,4,5-tetrol
InChIKey OMLRWUJGVBOYQP-DVKNGEFBSA-N
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