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

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Properties Simple | Detailed

Formula C20H36O12
IUPAC Name [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl octanoate
Molecular Mass 468.493 g·mol−1
Heat of Formation -2393.9 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 546.31 Å 3
Surface Area 450.56 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 3.87 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl octanoate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl octanoate
  • n-octanoyl-b-d-fructofuranosyl-a-d-glucopyranoside, sucrose monocaproylate
  • octanoic acid [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]methyl ester
  • osu
InChIKey AWSYOWHJNGZJGU-OASARBKBSA-N
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Elements H C O