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

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Properties Simple | Detailed

Formula C48H93NO12S
IUPAC Name [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(2r)-2-hydroxytetracosanoyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 908.317 g·mol−1
Heat of Formation -2905.4 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 1211.89 Å 3
Surface Area 1069.47 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(2r)-2-hydroxy-1-oxotetracosyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)-4-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(2r)-2-hydroxytetracosanoyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(2r)-2-hydroxytetracosanoyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[(e,2s,3r)-3-hydroxy-2-[[(2r)-2-hydroxytetracosanoyl]amino]octadec-4-enoxy]-6-methylol-tetrahydropyran-4-yl] hydrogen sulfate
  • sulfogalactoceramide
InChIKey QTTLKKFUOJQIRB-JOLIRYOJSA-N
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