5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxo-4H-Chromen-3-Yl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C16H12O10S
IUPAC Name [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-3-yl] hydrogen sulfate
Molecular Mass 396.325 g·mol−1
Heat of Formation -1502.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 388.15 Å 3
Surface Area 336.71 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)-
  • [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-chromen-3-yl] hydrogen sulfate
  • [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-chromenyl] hydrogen sulfate
  • [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
  • chromone, 2-(4-hydroxy-3-methoxyphenyl)-3,5,7-trihydroxy-, 3-sulfate (ester)
  • isohamnetin 3-monosulfate
  • isohamnetin 3-sulfate
CAS Number(s)
  • 549-31-5
InChIKey CZFNXFXZXWDYMZ-UHFFFAOYSA-N
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