4-[(1R)-1-(4-Hydroxy-5-Isopropyl-2-Methylphenyl)-3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl]-2-Isopropyl-5-Methylphenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C28H27O7P
IUPAC Name [4-[(1r)-1-(4-methoxy-2-methyl-5-vinyl-phenyl)-3-oxo-5h-isobenzofuran-5-id-1-yl]-5-methyl-2-vinyl-phenoxy]methoxy-oxido-oxo-phosphonium
Molecular Mass 506.484 g·mol−1
Heat of Formation -1460.8 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 605.57 Å 3
Surface Area 451.02 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(1r)-1-(4-hydroxy-2-methyl-5-propan-2-yl-phenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-yl-phenyl] dihydrogen phosphate
  • [4-[(1r)-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
  • [4-[(1r)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-keto-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] dihydrogen phosphate
  • [4-[(1r)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] dihydrogen phosphate
  • [4-[(1r)-1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1-isobenzofuranyl]-2-isopropyl-5-methylphenyl] dihydrogen phosphate
InChIKey JWBPMLSZYOGYFD-MUUNZHRXSA-N
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