3-Carboxy-2,3-Dideoxy-D-Erythro-Pentaric Acid

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Properties Simple | Detailed

Formula C6H8O7
IUPAC Name (1s,2s)-1-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Mass 192.124 g·mol−1
Heat of Formation -1355.0 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 203.73 Å 3
Surface Area 195.97 Å 2
HOMO Energy -11.30 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-1-hydroxypropane-1,2,3-tricarboxylic acid
  • d-erythro-isocitric acid
CAS Number(s)
  • 30810-51-6
InChIKey ODBLHEXUDAPZAU-OKKQSCSOSA-N
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Elements H C O