(3R,4S,5R)-5-[(1-Carboxyvinyl)Oxy]-4-Hydroxy-3-(Phosphonooxy)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H13O10P
IUPAC Name (3r,4s,5r)-5-(1-carboxyvinyloxy)-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
Molecular Mass 324.178 g·mol−1
Heat of Formation -2000.7 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 332.06 Å 3
Surface Area 294.36 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5r)-4-hydroxy-5-(3-hydroxy-3-oxo-prop-1-en-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
  • (3r,4s,5r)-4-hydroxy-5-(3-hydroxy-3-oxoprop-1-en-2-yl)oxy-3-phosphonooxycyclohexene-1-carboxylic acid
  • (3r,4s,5r)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid
  • (3r,4s,5r)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
  • (3r,4s,5r)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
  • 1-cyclohexene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)-, (3r,4s,5r)-
  • 1-cyclohexene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)-, [3r-(3alpha,4alpha,5beta)]-
  • 5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
  • 5-enolpyruvylshikimate-3-phosphate
  • 5-o-(1-carboxyvinyl)-3-phosphoshikimic acid
  • eps
  • o5-(1-carboxyvinyl)-3-phosphate shikimate
  • o5-(1-carboxyvinyl)-3-phosphoshikimate
CAS Number(s)
  • 89771-75-5
InChIKey QUTYKIXIUDQOLK-PRJMDXOYSA-N
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