4-S-β-D-Glucopyranosyl-4-Thio-β-D-Glucopyranose

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Formula C12H22O10S
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 358.362 g·mol−1
Heat of Formation -1886.5 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 385.25 Å 3
Surface Area 306.98 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyloxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]thio]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-[[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]thio]tetrahydropyran-3,4,5-triol
  • tcb
  • thiocellobiose
InChIKey VDQIIPZYLPYPNM-QRZGKKJRSA-N
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