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

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Properties Simple | Detailed

Formula C14H24O12
IUPAC Name (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-octanoic acid
Molecular Mass 384.333 g·mol−1
Heat of Formation -2263.5 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 418.47 Å 3
Surface Area 350.04 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-keto-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-caprylic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-octanoic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-octanoic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoctanoic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]octanoic acid
  • 3-deoxy-5-o-alpha-l-rhamnopyranosyl-d-manno-2-octulopyranosonate
  • 3-deoxy-5-o-rhamnopyranosyl-2-octulopyranosonate
  • 3-drmop
  • d-manno-2-octulosonic acid, 3-deoxy-5-o-(6-deoxy-alpha-l-mannopyranosyl)-
CAS Number(s)
  • 96304-96-0
InChIKey YFRXDFPUOICSHU-SMLUSZEVSA-N
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