3-C-Carboxy-2-Chloro-2,4-Dideoxy-L-Threo-Pentaric Acid

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Properties Simple | Detailed

Formula C6H7ClO7
IUPAC Name (1r,2r)-1-chloro-2-hydroxy-propane-1,2,3-tricarboxylic acid
Molecular Mass 226.569 g·mol−1
Heat of Formation -1376.0 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 221.86 Å 3
Surface Area 203.64 Å 2
HOMO Energy -11.02 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-threo-chlorocitric acid
  • (1r,2r)-1-chloro-2-hydroxy-propane-1,2,3-tricarboxylic acid
  • (1r,2r)-1-chloro-2-hydroxypropane-1,2,3-tricarboxylic acid
  • 1,2,3-propanetricarboxylic acid, 1-chloro-2-hydroxy-, (r*,r*)-(-)-
  • 1-chloro-2-hydroxy-1,2,3-propanetricarboxylic acid (r*,r*)-(-)-
  • chlorocitrate
  • chlorocitric acid
  • ro-21-7716
CAS Number(s)
  • 76432-78-5
InChIKey PLYZXLXZNMQAAU-DZSWIPIPSA-N
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Elements H C O Cl