4-S-β-D-Glucopyranosyl-4-Thio-D-Glucose

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Properties Simple | Detailed

Formula C12H22O10S
IUPAC Name (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-hexanal
Molecular Mass 358.362 g·mol−1
Heat of Formation -1825.6 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 394.38 Å 3
Surface Area 326.67 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-hexanal
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-hexanal
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]hexanal
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]hexanal
  • d-glucose, 4-s-beta-d-glucopyranosyl-4-thio-
CAS Number(s)
  • 80951-92-4
  • 81536-60-9
InChIKey VMEDEPBFFWJMMG-WELRSGGNSA-N
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