2-S-α-D-Glucopyranosyl-2-Thio-α-D-Glucopyranose

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Formula C12H22O10S
IUPAC Name (2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3-[(2r,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 -1872.4 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 382.92 Å 3
Surface Area 314.39 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-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,6r)-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,6r)-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,6r)-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,6r)-2-methylol-6-[[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]thio]tetrahydropyran-3,4,5-triol
  • 2-thiokojibiose
CAS Number(s)
  • 158213-24-2
InChIKey LZOBVHNAVZABHO-LFWCVFAXSA-N
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