3-O-Decyl-2-Deoxy-6-O-{2-Deoxy-3-O-[(3R)-3-Methoxydecyl]-6-O-Methyl-2-[(11Z)-11-Octadecenoylamino]-4-O-Phosphono-β-D-Glucopyranosyl}-2-[(3-Oxotetradecanoyl)Amino]-1-O-Phosphono-Alpha-D-Glucopyranose

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Formula C66H126N2O19P2
IUPAC Name [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-6-dihydroxyphosphoryloxy-3-hydroxy-5-(3-oxotetradecanoylamino)tetrahydropyran-2-yl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-octadec-11-enoyl]amino]tetrahydropyran-3-yl] dihydrogen phosphate
Molecular Mass 1313.656 g·mol−1
Heat of Formation -4943.8 ± 16.7 kJ·mol−1
Dipole Moment 12.04 ± 1.08 D
Volume 1700.89 Å 3
Surface Area 1418.84 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-3-hydroxy-5-(3-ketotetradecanoylamino)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-octadec-11-enoyl]amino]tetrahydropyran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxy-oxan-2-yl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-octadec-11-enoyl]amino]tetrahydropyran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4-decoxy-5-(1,3-dioxotetradecylamino)-3-hydroxy-6-phosphonooxy-2-tetrahydropyranyl]methoxy]-4-[(3r)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(z)-1-oxooctadec-11-enyl]amino]-3-tetrahydropyranyl] dihydrogen phosphate
InChIKey BPSMYQFMCXXNPC-MFCPCZTFSA-N
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