β-D-Fructofuranosyl 6-O-Octanoyl-Alpha-D-Glucopyranoside

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Formula C20H36O12
IUPAC Name [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl octanoate
Molecular Mass 468.493 g·mol−1
Heat of Formation -2401.8 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 545.73 Å 3
Surface Area 434.9 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl octanoate
  • [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl octanoate
  • [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl octanoate
  • caprylic acid [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • octanoic acid [(2r,3s,4s,5r,6r)-6-[[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
InChIKey WSRKPJOHKUHAFB-OASARBKBSA-N
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