N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-Dihydroxy-2-Octadecanyl]-6-Phenylhexanamide

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Formula C36H63NO9
IUPAC Name n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadecyl]-6-phenyl-hexanamide
Molecular Mass 653.887 g·mol−1
Heat of Formation -2044.7 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 867.31 Å 3
Surface Area 733.88 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]heptadecyl]-6-phenylhexanamide
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadecyl]-6-phenyl-hexanamide
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadecyl]-6-phenyl-hexanamide
  • n-[(2s,3s,4r)-3,4-dihydroxy-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-octadecan-2-yl]-6-phenyl-hexanamide
  • n-[(2s,3s,4r)-3,4-dihydroxy-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-6-phenylhexanamide
InChIKey OIUCZFOCUKYLRK-QNAIHFNASA-N
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