Phenolphthalein Diphosphate

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Properties Simple | Detailed

Formula C20H16O10P2
IUPAC Name [4-[3-oxo-1-(4-phosphonooxyphenyl)isobenzofuran-1-yl]phenyl] dihydrogen phosphate
Molecular Mass 478.283 g·mol−1
Heat of Formation -2060.5 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 488.78 Å 3
Surface Area 424.57 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1(3h)-isobenzofuranone, 3,3-bis(4-(phosphonooxy)phenyl)-
  • [4-[3-keto-1-(4-phosphonooxyphenyl)isobenzofuran-1-yl]phenyl] dihydrogen phosphate
  • [4-[3-oxo-1-(4-phosphonooxyphenyl)-1-isobenzofuranyl]phenyl] dihydrogen phosphate
  • [4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
  • phenolphthalein phosphate
  • phenolphthalein, bis(dihydrogen phosphate)
InChIKey WMDDNKROYKCDJC-UHFFFAOYSA-N
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