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

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Formula C36H69NO11S
IUPAC Name [(2r,3r,4s,5s,6r)-2-[(e,2s,3r)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
Molecular Mass 723.998 g·mol−1
Heat of Formation -2490.4 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 935.1 Å 3
Surface Area 827.7 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey FWVDYZZBQLRRDU-AZNTWQPMSA-N
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