Octyl 1-Thio-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C14H28O5S
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-octylsulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 308.434 g·mol−1
Heat of Formation -1089.1 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 385.76 Å 3
Surface Area 354.58 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(octylthio)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-octylsulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-octylsulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-(octylthio)tetrahydropyran-3,4,5-triol
  • 1-s-octyl-beta-d-thioglucoside
  • 2-hydroxymethyl-6-octylsulfanyl-tetrahydro-pyran-3,4,5-triol
  • octyl beta-d-1-thioglucopyranoside
  • octyl thioglucoside
  • sog
InChIKey CGVLVOOFCGWBCS-RGDJUOJXSA-N
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