(2R,3R)-2-(4-Hydroxy-3-Methoxyphenyl)-3-(Hydroxymethyl)-5-Methoxy-2,3-Dihydro-9H-[1,4]Dioxino[2,3-H]Chromen-9-One

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Properties Simple | Detailed

Formula C20H18O8
IUPAC Name (2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Molecular Mass 386.352 g·mol−1
Heat of Formation -1026.2 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 421.61 Å 3
Surface Area 369.32 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • 9h-pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(+-)-
CAS Number(s)
  • 76985-93-8
InChIKey XGADTAYOFHOFIW-NVXWUHKLSA-N
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