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

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Properties Simple | Detailed

Formula C7H10O7
IUPAC Name (2s,3r)-3-hydroxybutane-1,2,3-tricarboxylic acid
Molecular Mass 206.150 g·mol−1
Heat of Formation -1385.5 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 223.41 Å 3
Surface Area 205.45 Å 2
HOMO Energy -10.96 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-hydroxybutane-1,2,3-tricarboxylate
  • (2s,3r)-3-hydroxybutane-1,2,3-tricarboxylic acid
  • alpha-methylisocitric acid
  • methylisocitrate
  • methylisocitric acid
InChIKey HHKPKXCSHMJWCF-WVBDSBKLSA-N
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Elements H C O