(1S,3R,4R,5E)-1,3,4-Trihydroxy-5-(Hydroxyimino)Cyclohexanecarboxylic Acid

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Formula C7H11NO6
IUPAC Name (1s,3r,4r,5e)-1,3,4-trihydroxy-5-hydroxyimino-cyclohexanecarboxylic acid
Molecular Mass 205.165 g·mol−1
Heat of Formation -994.9 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 221.78 Å 3
Surface Area 205.02 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3e,4r,5r)-3-hydroximino-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5e)-1,3,4-trihydroxy-5-hydroxyimino-1-cyclohexanecarboxylic acid
  • (1s,3r,4r,5e)-1,3,4-trihydroxy-5-hydroxyimino-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5e)-1,3,4-trihydroxy-5-hydroxyiminocyclohexane-1-carboxylic acid
  • 3-hydroxyimino quinic acid
  • cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-(hydroxyimino)-, (1s,3r,4r,5e)-
  • fa6
CAS Number(s)
  • 494211-80-2
InChIKey WASIBXJFRXJWAR-GKQOBJDDSA-N
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