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

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Properties Simple | Detailed

Formula C21H21O9+
IUPAC Name (2r,3r)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Molecular Mass 417.386 g·mol−1
Heat of Formation -1186.9 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 453.24 Å 3
Surface Area 393.72 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
InChIKey GZXPCBAETDEQAX-CRAIPNDOSA-N
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