(4R,5R,6R,7R)-8-{[6-Deoxy-3-O-(6-Deoxy-α-L-Mannopyranosyl)-α-L-Mannopyranosyl]Oxy}-4,5,6,7-Tetrahydroxy-2-Oxooctanoic Acid

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Properties Simple | Detailed

Formula C20H34O16
IUPAC Name (4r,5r,6r,7r)-8-[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6,7-tetrahydroxy-2-oxo-octanoic acid
Molecular Mass 530.474 g·mol−1
Heat of Formation -3007.3 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 598.17 Å 3
Surface Area 462.43 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r,7r)-8-[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-4,5,6,7-tetrahydroxy-2-oxo-octanoic acid
  • (4r,5r,6r,7r)-8-[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6,7-tetrahydroxy-2-keto-caprylic acid
  • (4r,5r,6r,7r)-8-[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6,7-tetrahydroxy-2-oxo-octanoic acid
  • (4r,5r,6r,7r)-8-[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6,7-tetrahydroxy-2-oxooctanoic acid
  • (4r,5r,6r,7r)-8-[[(2r,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-4,5,6,7-tetrahydroxy-2-oxooctanoic acid
  • 3-deoxy-8-o-(3-o-rhamnopyranosyl-rhamnopyranosyl)-manno-octulosonate
  • drrmo
  • rhamnosyl-rhamnosyl-3-deoxymannooctulosonic acid
CAS Number(s)
  • 111070-81-6
InChIKey HARGVJONLXPVEX-PILVOEBPSA-N
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