2-(4-{[(1S,2S)-1,3-Dihydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-2-Propanyl]Oxy}-3,5-Dimethoxyphenyl)-5,7-Dihydroxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C27H27O11+
IUPAC Name 5,7-dihydroxy-2-[4-[(1s,2s)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxy-phenyl]chromen-4-one
Molecular Mass 527.497 g·mol−1
Heat of Formation -1563.2 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 584.29 Å 3
Surface Area 476.56 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-2-yl]oxy-3,5-dimethoxy-phenyl]-5,7-dihydroxy-chromen-4-one
  • 5,7-dihydroxy-2-[4-[(1s,2s)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxy-phenyl]chromen-4-one
  • 5,7-dihydroxy-2-[4-[(1s,2s)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-ethoxy]-3,5-dimethoxy-phenyl]chromone
  • 5,7-dihydroxy-2-[4-[(1s,2s)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl]-4-chromenone
InChIKey WXNJNHFYIWEHIL-AHWVRZQESA-N
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