(2S,3R,4R)-2,3,4-Trihydroxy-6-Oxoheptanedioic Acid

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Properties Simple | Detailed

Formula C7H10O8
IUPAC Name (2s,3r,4r)-2,3,4-trihydroxy-6-oxo-heptanedioic acid
Molecular Mass 222.149 g·mol−1
Heat of Formation -1473.9 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 235.64 Å 3
Surface Area 226.01 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r)-2,3,4-trihydroxy-6-keto-pimelic acid
  • (2s,3r,4r)-2,3,4-trihydroxy-6-oxo-heptanedioic acid
  • 3-deoxy-2-heptulosaric acid
  • 3-deoxy-d-lyxo-2-heptulosaric acid
  • 3-deoxy-lyxo-2-heptulosaric acid
  • d-lyxo-2-heptulosaric acid, 3-deoxy-
  • dlhl acid
CAS Number(s)
  • 117144-05-5
InChIKey IEBQXKOEWCQOHR-GMSGWIQWSA-N
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