N-[(2S,3R,4E)-1-(β-D-Galactopyranosyloxy)-3-Hydroxy-4-Octadecen-2-Yl]Tetracosanamide

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Properties Simple | Detailed

Formula C48H93NO8
IUPAC Name n-[(e,1s,2r)-2-hydroxy-1-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]tetracosanamide
Molecular Mass 812.254 g·mol−1
Heat of Formation -2220.2 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 1144.75 Å 3
Surface Area 1034.33 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (r-(r*,s*-(e)))-n-(1-((beta-d-galactopyranosyloxy)methyl)-2-hydroxy-3-heptadecenyl)tetracosanamide
  • beta-d-galactosyl-n-(n-acyl)-d-sphingosine
  • cerasine
  • kerasin
  • n-[(e,1s,2r)-2-hydroxy-1-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]heptadec-3-enyl]tetracosanamide
  • n-[(e,1s,2r)-2-hydroxy-1-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]tetracosanamide
  • n-[(e,1s,2r)-2-hydroxy-1-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]lignoceramide
  • n-[(e,2s,3r)-3-hydroxy-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-octadec-4-en-2-yl]tetracosanamide
CAS Number(s)
  • 536-13-0
InChIKey POQRWMRXUOPCLD-HIIAJUEOSA-N
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