1-Thio-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 196.221 g·mol−1
Heat of Formation -933.6 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 214.23 Å 3
Surface Area 201.8 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-mercaptotetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-mercapto-6-methylol-tetrahydropyran-3,4,5-triol
  • 1-thio-.beta.-d-glucose
  • 10593-29-0 (sodium salt)
  • gs1
  • thioglucose
InChIKey JUSMHIGDXPKSID-DVKNGEFBSA-N
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