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

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Formula C50H99NO9
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]hexacosanamide
Molecular Mass 858.322 g·mol−1
Heat of Formation -2592.4 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 1202.51 Å 3
Surface Area 1051.07 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • agh
  • agl-582
  • alpha-galactosylceramide
  • alpha-galcer
  • hexacosanamide, n-[(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]-
  • hexacosanamide, n-[(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- (9ci)
  • hexacosanamide, n-[1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]-, [1s-(1r*,2r*,3s*)]-
  • n-((2s,3s,4r)-3,4-dihydroxy-1-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)octadecan-2-yl)hexaicosanamide
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]heptadecyl]hexacosanamide
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadecyl]hexacosanamide
  • n-[(1s,2s,3r)-2,3-dihydroxy-1-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadecyl]cerotamide
  • 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]hexacosanamide
  • 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]hexacosanamide
  • n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide
InChIKey VQFKFAKEUMHBLV-BYSUZVQFSA-N
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