Undecyl 4-O-α-D-Glucopyranosyl-1-Thio-Beta-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C23H44O10S
IUPAC Name (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyl-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 512.654 g·mol−1
Heat of Formation -2094.2 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 626.86 Å 3
Surface Area 534.2 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyl-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyl-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-methylol-6-(undecylthio)tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecylthio)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey SQISXDUZDUDUNY-GNKAUAAYSA-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