2-Deoxy-3-O-[(3R)-3-Hydroxytetradecanoyl]-2-{[(3R)-3-Hydroxytetradecanoyl]Amino}-4-O-Phosphono-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C34H66NO12P
IUPAC Name [(2r,3r,4r,5s,6r)-5-dihydroxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxytetradecanoyl]amino]tetrahydropyran-4-yl] (3r)-3-hydroxytetradecanoate
Molecular Mass 711.861 g·mol−1
Heat of Formation -3125.7 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 915.23 Å 3
Surface Area 726.02 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-hydroxymyristic acid [(2r,3r,4r,5s,6r)-2-hydroxy-3-[[(3r)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester
  • (3r)-3-hydroxytetradecanoic acid [(2r,3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxy-1-oxotetradecyl]amino]-5-phosphonooxy-4-tetrahydropyranyl] ester
  • [(2r,3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-oxan-4-yl] (3r)-3-hydroxytetradecanoate
  • [(2r,3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3r)-3-hydroxytetradecanoate
  • [(2r,3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3r)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3r)-3-hydroxytetradecanoate
InChIKey AJRPJFBMHCTNGK-XQJZMFRCSA-N
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