β-D-Fructofuranosyl 3-O-Octanoyl-Alpha-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H36O12
IUPAC Name [(2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] octanoate
Molecular Mass 468.493 g·mol−1
Heat of Formation -2426.8 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 531.88 Å 3
Surface Area 444.22 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2os
  • 3'-o-n-octanoyl-a-d-glucopyranosyl-b-d-fructofuranoside
  • 3-n-octanoylsucrose
  • [(2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] octanoate
  • [(2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] octanoate
  • caprylic acid [(2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester
  • octanoic acid [(2r,3r,4s,5r,6r)-2-[[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl] ester
InChIKey NMVDZWILYFXVBZ-PQJCEUABSA-N
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