6-O-Phosphono-α-D-Mannopyranosyl-(1->3)-α-D-Mannopyranosyl-(1->3)-α-D-Mannopyranose

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Formula C18H33O19P
IUPAC Name [(2r,3s,4s,5s,6r)-6-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 584.417 g·mol−1
Heat of Formation -3873.1 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 614.02 Å 3
Surface Area 457.82 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1-3 sugar ring of pentamannosyl 6-phosphate
  • [(2r,3s,4s,5s,6r)-6-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-oxan-4-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methylol-6-[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-6-[[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • p3m
InChIKey HDQMHAJOIVYOIP-NAVBLJQLSA-N
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