2-Deoxy-3-O-[(3R)-3-Hydroxytetradecanoyl]-2-{[(3R)-3-Hydroxytetradecanoyl]Amino}-1-O-Phosphono-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C34H66NO12P
IUPAC Name [(2r,3r,4r,5s,6r)-2-dihydroxyphosphoryloxy-5-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxytetradecanoyl]amino]tetrahydropyran-4-yl] (3r)-3-hydroxytetradecanoate
Molecular Mass 711.861 g·mol−1
Heat of Formation -3110.6 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 911.61 Å 3
Surface Area 751.02 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-hydroxymyristic acid [(2r,3s,4r,5r,6r)-3-hydroxy-5-[[(3r)-3-hydroxytetradecanoyl]amino]-2-methylol-6-phosphonooxy-tetrahydropyran-4-yl] ester
  • (3r)-3-hydroxytetradecanoic acid [(2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-[[(3r)-3-hydroxy-1-oxotetradecyl]amino]-6-phosphonooxy-4-tetrahydropyranyl] ester
  • [(2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-[[(3r)-3-hydroxytetradecanoyl]amino]-6-phosphonooxy-oxan-4-yl] (3r)-3-hydroxytetradecanoate
  • [(2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-[[(3r)-3-hydroxytetradecanoyl]amino]-6-phosphonooxy-tetrahydropyran-4-yl] (3r)-3-hydroxytetradecanoate
  • [(2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-[[(3r)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxytetradecanoate
  • alpha-d-glucopyranose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 1-(dihydrogen phosphate) 3-(3-hydroxytetradecanoate), (2(r),3(r))-
  • lp5
  • monosaccharide precursor, e coli lipid a
CAS Number(s)
  • 86559-73-1
InChIKey HEHQDWUWJVPREQ-XQJZMFRCSA-N
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