(4R,5R,6R,7R)-4,5,6,7-Tetrahydroxy-2-Oxo-8-(Phosphonooxy)Octanoic Acid

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Properties Simple | Detailed

Formula C8H15O11P
IUPAC Name (4r,5r,6r,7r)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxy-octanoic acid
Molecular Mass 318.172 g·mol−1
Heat of Formation -2363.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 322.67 Å 3
Surface Area 296.14 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r,7r)-4,5,6,7-tetrahydroxy-2-keto-8-phosphonooxy-caprylic acid
  • (4r,5r,6r,7r)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxy-octanoic acid
  • 3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid
  • 8-phospho-3-deoxy-d-manno-oct-2-ulosonic acid
InChIKey RTNBXJBOAIDPME-SHUUEZRQSA-N
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