4-[5-(Hexyloxy)-6,7-Dimethoxy-4-Oxo-4H-Chromen-2-Yl]-2-Hydroxyphenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C23H28O10P+
IUPAC Name [4-(5-hexoxy-6,7-dimethoxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl] dihydrogen phosphate
Molecular Mass 495.436 g·mol−1
Heat of Formation -1807.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 544.92 Å 3
Surface Area 485.77 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-(hexyloxy)-2-(3-hydroxy-4-(phosphonooxy)phenyl)-6,7-dimethoxy-
  • 5-hexyloxy-3',4'-dihydroxy-6,7-dimethoxyflavone 4'-phosphate
  • [4-(5-hexoxy-4-keto-6,7-dimethoxy-chromen-2-yl)-2-hydroxy-phenyl] dihydrogen phosphate
  • [4-(5-hexoxy-6,7-dimethoxy-4-oxo-2-chromenyl)-2-hydroxyphenyl] dihydrogen phosphate
  • [4-(5-hexoxy-6,7-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl] dihydrogen phosphate
  • hddfp
CAS Number(s)
  • 111372-46-4
InChIKey WHFSJKCACRWVPW-UHFFFAOYSA-N
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