(2S)-1-(α-L-Allopyranosyloxy)-3-(Tridecanoyloxy)-2-Propanyl Palmitate

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Properties Simple | Detailed

Formula C38H72O10
IUPAC Name [(1s)-1-(tridecanoyloxymethyl)-2-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl] hexadecanoate
Molecular Mass 688.972 g·mol−1
Heat of Formation -2459.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 937.63 Å 3
Surface Area 811.31 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate
  • [(1s)-1-(tridecanoyloxymethyl)-2-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl] hexadecanoate
  • [(2s)-1-tridecanoyloxy-3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propan-2-yl] hexadecanoate
  • [(2s)-1-tridecanoyloxy-3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexadecanoate
  • hexadecanoic acid [(1s)-1-(1-oxotridecoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl] ester
  • mge
  • monogalactosyl-diacylglycerol
  • palmitic acid [(1s)-1-(tridecanoyloxymethyl)-2-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl] ester
InChIKey FIJGNIAJTZSERN-DQQGJSMTSA-N
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