(2S,3R,4E)-2-Amino-3-Hydroxy-4-Octadecen-1-Yl 3-O-Sulfo-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C24H47NO10S
IUPAC Name [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxy-octadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 541.696 g·mol−1
Heat of Formation -2080.6 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 664.06 Å 3
Surface Area 581.12 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxy-octadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxy-octadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxy-octadec-4-enoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-amino-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
InChIKey BXSULSOCJNTUJS-YTBMLWRQSA-N
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