2-[2,7-Bis(2-Carboxyethyl)-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl]Terephthalic Acid

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Properties Simple | Detailed

Formula C27H20O11
IUPAC Name 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-xanthen-9-yl]terephthalic acid
Molecular Mass 520.441 g·mol−1
Heat of Formation -1730.3 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 562.92 Å 3
Surface Area 449.77 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2′,7′-bis(2-carboxyethyl)-5(6)-carboxyfluorescein
  • 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-keto-xanthen-9-yl]terephthalic acid
  • 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-9-xanthenyl]terephthalic acid
  • 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxoxanthen-9-yl]terephthalic acid
InChIKey DKROGDOAOXDINY-UHFFFAOYSA-N
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