(2S,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-8-(4-Hydroxybenzyl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C22H18O8
IUPAC Name (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]chroman-4-one
Molecular Mass 410.374 g·mol−1
Heat of Formation -1170.3 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 452.6 Å 3
Surface Area 354.96 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(4-hydroxybenzyl)chroman-4-one
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]-4-chromanone
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]chroman-4-one
InChIKey UMBDLCOFFATLCV-RTWAWAEBSA-N
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