[(2R,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methoxytetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2-Furanyl]Methyl Decanoate

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Properties Simple | Detailed

Formula C22H40O12
IUPAC Name [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl decanoate
Molecular Mass 496.546 g·mol−1
Heat of Formation -2397.6 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 582.7 Å 3
Surface Area 496.22 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry C1
Synonyms
  • ((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-oxan-2-yl]oxy-oxolan-2-yl]methyl decanoate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl decanoate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyoxolan-2-yl]methyl decanoate
  • capric acid [(2r,3s,4s,5s)-3,4-dihydroxy-5-methylol-5-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester
  • decanoic acid [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]methyl ester
  • dsu
InChIKey GCKKEFVHVGTJPT-PZOSHJPSSA-N
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