Heptyl 1-Thio-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C13H26O5S
IUPAC Name (2s,3r,4s,5s,6r)-2-heptylsulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 294.408 g·mol−1
Heat of Formation -1068.2 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 367.66 Å 3
Surface Area 336.47 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-(heptylthio)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(heptylthio)-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-heptylsulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • beta-d-glucopyranoside, heptyl 1-thio-
  • detergent screening solution 32/fluka kit no 66317
  • heptyl 1-thioglucoside
  • heptyl 1-thiohexopyranoside
  • heptyl thioglucoside
  • heptyl-beta-d-1-thioglucopyranoside
  • heptyl-beta-d-1-thioglucopyranoside solution
  • heptyl-beta-d-1-thioglucoside 300 mm solution
  • htg
  • n-heptyl beta-d-thioglucopyranoside
  • n-heptylthioglucoside
CAS Number(s)
  • 85618-20-8
InChIKey HPEGNLMTTNTJSP-LBELIVKGSA-N
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