N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-Beta-D-Galactopyranosyl-(1->4)-Beta-D-Glucopyranosyl]Oxy}-3-Hydroxy-4-Octadecen-2-Yl]Hexacosanamide

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Properties Simple | Detailed

Formula C62H117NO18
IUPAC Name n-[(e)-1-[[5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-3-enyl]hexacosanamide
Molecular Mass 1164.588 g·mol−1
Heat of Formation -4102.3 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 1536.43 Å 3
Surface Area 1319.29 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • gal alpha1,3 gal beta1,4 glc beta1,1 cer
  • galalpha3galbeta4glcbeta1cer
  • hexacosanamide, n-[(1s,2r,3e)-1-[[[o-alpha-d-galactopyranosyl-(1->3)-o-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecenyl]-
  • isoglobotrihexosylceramide
  • n-((2s,3r,e)-1-(5-(3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2-yloxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-hydroxyoctadec-4-en-2-yl)hexaicosanamide
  • n-[(e,1s,2r)-1-[[(2r,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-3-enyl]hexacosanamide
  • n-[(e,1s,2r)-1-[[(2r,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-methylol-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-3-enyl]cerotamide
  • n-[(e,1s,2r)-1-[[(2r,3r,4r,5s,6r)-5-[[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-hydroxyheptadec-3-enyl]hexacosanamide
  • n-[(e,2s,3r)-1-[(2r,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-octadec-4-en-2-yl]hexacosanamide
  • n-[(e,2s,3r)-1-[(2r,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
InChIKey JMENXJYBCQFIRK-KRJDXUSZSA-N
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