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

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Properties Simple | Detailed

Formula C8H15O11P
IUPAC Name (4r,5s,6r,7r)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxy-octanoic acid
Molecular Mass 318.172 g·mol−1
Heat of Formation -2354.7 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 324.3 Å 3
Surface Area 283.24 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6r,7r)-5,6,7,8-tetrahydroxy-2-keto-4-phosphonooxy-caprylic acid
  • (4r,5s,6r,7r)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxy-octanoic acid
  • (4r,5s,6r,7r)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxyoctanoic acid
  • 3-deoxy-2-octulosonate-4-phosphate
  • 3-deoxy-d-manno-2-octulosonate-4-phosphate
  • kdo-4-phosphate
CAS Number(s)
  • 143651-48-3
InChIKey UTNZDUXOWSLJKE-DBRKOABJSA-N
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