5-(2-Carboxyethyl)-6-{3-[(5-Ethyl-4'-Fluoro-2-Hydroxy-4-Biphenylyl)Oxy]Propoxy}-9-Oxo-9H-Xanthene-2-Carboxylic Acid

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Formula C34H29FO9
IUPAC Name 5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-9-oxo-xanthene-2-carboxylic acid
Molecular Mass 600.587 g·mol−1
Heat of Formation -1553.3 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 675.77 Å 3
Surface Area 470.24 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-9-keto-xanthene-2-carboxylic acid
  • 5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxo-2-xanthenecarboxylic acid
  • 5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxoxanthene-2-carboxylic acid
  • ly 292728
  • ly-292728
CAS Number(s)
  • 153034-77-6
InChIKey DCTKEJXAVFAMFK-UHFFFAOYSA-N
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