Formula |
C28H31O7P |
IUPAC Name |
[4-[(1r)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] dihydrogen phosphate |
Molecular Mass |
510.515 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
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Synonyms
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- [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
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InChIKey |
JWBPMLSZYOGYFD-MUUNZHRXSA-N |
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Links |
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Elements |
H
C
O
P
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