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

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Properties Simple | Detailed

Formula C8H15O11P
IUPAC Name (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-phosphonooxy-octanoic acid
Molecular Mass 318.172 g·mol−1
Heat of Formation -2350.9 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 325.7 Å 3
Surface Area 287.68 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-keto-5-phosphonooxy-caprylic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-phosphonooxy-octanoic acid
  • (4r,5r,6r,7r)-4,6,7,8-tetrahydroxy-2-oxo-5-phosphonooxyoctanoic acid
  • 2-keto-3-deoxy-5-phosphooctonate
  • 2-keto-3-deoxyoctonate-5-phosphate
  • 5-o-phosphoryl-kdo
  • d-manno-2-octulosonic acid, 3-deoxy-, 5-(dihydrogen phosphate)
CAS Number(s)
  • 57717-01-8
InChIKey VIKPNTGSTZAZIG-SHUUEZRQSA-N
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