4-Thio-β-D-Glucopyranosyl-(1->4)-4-Thio-β-D-Glucopyranosyl-(1->4)-1,4-Dithio-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C18H32O12S4
IUPAC Name (2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3-yl]sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-(hydroxymethyl)-5-sulfanyl-tetrahydropyran-3,4-diol
Molecular Mass 568.699 g·mol−1
Heat of Formation -2214.3 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 597.35 Å 3
Surface Area 470.85 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfanyl-oxan-2-yl]sulfanyl-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-sulfanyl-oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4-diol
  • (2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfanyl-tetrahydropyran-2-yl]sulfanyl-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3-yl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4-diol
  • (2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfanyloxan-2-yl]sulfanyl-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-sulfanyloxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4-diol
  • (2s,3r,4r,5s,6r)-5-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-5-mercapto-6-methylol-tetrahydropyran-2-yl]thio]-2-[[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-mercapto-2-methylol-tetrahydropyran-3-yl]thio]-6-methylol-tetrahydropyran-3,4-diol
  • (2s,3r,4r,5s,6r)-5-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-mercapto-2-tetrahydropyranyl]thio]-2-[[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-mercapto-3-tetrahydropyranyl]thio]-6-(hydroxymethyl)tetrahydropyran-3,4-diol
  • 1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranose
  • dp5
InChIKey WBVXJPVNEKGLBK-FBMSAYSMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O