3-Deoxy-D-Manno-Oct-2-Ulosonic Acid

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Properties Simple | Detailed

Formula C8H14O8
IUPAC Name (4r,5r,6r,7r)-4,5,6,7,8-pentahydroxy-2-oxo-octanoic acid
Molecular Mass 238.192 g·mol−1
Heat of Formation -1507.4 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 265.76 Å 3
Surface Area 245.59 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r,7r)-4,5,6,7,8-pentahydroxy-2-keto-caprylic acid
  • (4r,5r,6r,7r)-4,5,6,7,8-pentahydroxy-2-oxo-octanoic acid
  • (4r,5r,6r,7r)-4,5,6,7,8-pentahydroxy-2-oxooctanoic acid
  • 3-deoxy-d-manno-2-octulosonic acid
  • d-manno-2-octulosonic acid, 3-deoxy-
  • keto-3-deoxy-d-manno-oct-2-ulosonic acid
  • keto-3-deoxy-d-manno-octulosonic acid
CAS Number(s)
  • 10149-14-1
InChIKey KYQCXUMVJGMDNG-SHUUEZRQSA-N
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