2-S-β-D-Glucopyranosyl-2-Thio-Alpha-D-Glucopyranose

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Properties Simple | Detailed

Formula C12H22O10S
IUPAC Name (2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2,4,5-triol
Molecular Mass 358.362 g·mol−1
Heat of Formation -1869.0 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 379.18 Å 3
Surface Area 314.48 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfanyloxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]thio]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-[[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]thio]tetrahydropyran-3,4,5-triol
  • 2-thiosophorose
  • alpha-d-glucopyranose, 2-s-beta-d-glucopyranosyl-2-thio-
CAS Number(s)
  • 158213-27-5
InChIKey LZOBVHNAVZABHO-NCFXGAEVSA-N
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