3-S-α-D-Glucopyranosyl-3-Thio-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C12H22O10S
IUPAC Name (2s,3s,4s,5r,6r)-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2,3,5-triol
Molecular Mass 358.362 g·mol−1
Heat of Formation -1866.0 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 381.21 Å 3
Surface Area 311.54 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]sulfanyloxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]thio]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-methylol-6-[[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl]thio]tetrahydropyran-3,4,5-triol
  • 3-s-(alpha-d-glucopyranosyl)-3-thio-d-glucose
  • 3-s-glucopyranosyl-3-thioglucose
  • alpha-d-glucopyranose, 3-s-alpha-d-glucopyranosyl-3-thio-
  • thionigerose
CAS Number(s)
  • 159495-64-4
InChIKey XRTVCRDMGYFFNB-NMCXEIBESA-N
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