(2S,3S)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H22O10
IUPAC Name (2s,3s)-3,5,7-trihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
Molecular Mass 482.436 g·mol−1
Heat of Formation -1385.0 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 519.05 Å 3
Surface Area 453.32 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2s,3s)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2s,3s)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromanone
  • bio1_000381
  • bio1_000870
  • bio1_001359
  • stock1n-67078
InChIKey SEBFKMXJBCUCAI-HVHOJJEHSA-N
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