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

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Properties Simple | Detailed

Formula C25H21O9+
IUPAC Name 5,7-dihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Molecular Mass 465.429 g·mol−1
Heat of Formation -1187.5 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 501.41 Å 3
Surface Area 438.32 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
  • 5,7-dihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxy-phenyl)-2-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chromone
  • 5,7-dihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromenone
  • 5,7-dihydroxy-2-[(2r,3r)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one
InChIKey NMICSFNNFDNGEL-ILBGXUMGSA-N
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