4-Thio-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-sulfanyl-tetrahydropyran-2,3,4-triol
Molecular Mass 196.221 g·mol−1
Heat of Formation -948.3 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 213.01 Å 3
Surface Area 198.05 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s,6r)-5-mercapto-6-methylol-tetrahydropyran-2,3,4-triol
  • (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-mercaptotetrahydropyran-2,3,4-triol
  • (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-sulfanyl-oxane-2,3,4-triol
  • (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-sulfanyl-tetrahydropyran-2,3,4-triol
  • (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-sulfanyloxane-2,3,4-triol
  • 4-deoxy-4-thio-beta-d-glucopyranose
  • 4-thio-d-glucose
  • gs4
  • gsd
  • sgc
InChIKey KGSURTOFVLAWDC-QZABAPFNSA-N
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