3-Carboxy-2,3-Dideoxy-L-Threo-Pentaric Acid

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Properties Simple | Detailed

Formula C6H8O7
IUPAC Name (1r,2s)-1-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Mass 192.124 g·mol−1
Heat of Formation -1355.4 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 201.86 Å 3
Surface Area 191.98 Å 2
HOMO Energy -11.33 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-1-hydroxypropane-1,2,3-tricarboxylic acid
  • d-threo-isocitric acid
CAS Number(s)
  • 6061-97-8
InChIKey ODBLHEXUDAPZAU-ZAFYKAAXSA-N
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Elements H C O