(15Z)-N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-Sulfo-β-D-Galactopyranosyl)Oxy]-4-Octadecen-2-Yl}-15-Tetracosenamide

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Properties Simple | Detailed

Formula C48H91NO11S
IUPAC Name [(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(e,2s,3r)-3-hydroxy-2-[[(z)-tetracos-15-enoyl]amino]octadec-4-enoxy]tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 890.301 g·mol−1
Heat of Formation -2628.1 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 1194.38 Å 3
Surface Area 1065.54 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide
  • (2s,3r,4e)-n-nervonic-1-[beta-d-(3-sulfate)-galactopyranosyl]-2-amino-octadecene-3-ol
  • [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(z)-tetracos-15-enoyl]amino]octadec-4-enoxy]-6-methylol-tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(e,2s,3r)-3-hydroxy-2-[[(z)-1-oxotetracos-15-enyl]amino]octadec-4-enoxy]-4-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(e,2s,3r)-3-hydroxy-2-[[(z)-tetracos-15-enoyl]amino]octadec-4-enoxy]oxan-4-yl] hydrogen sulfate
  • [(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(e,2s,3r)-3-hydroxy-2-[[(z)-tetracos-15-enoyl]amino]octadec-4-enoxy]tetrahydropyran-4-yl] hydrogen sulfate
  • cis-tetracosenoyl sulfatide
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