2-(3,4-Dihydroxyphenyl)-7-(Hexopyranosyloxy)-5-Hydroxy-4-Oxo-4H-Chromen-3-Olate

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Properties Simple | Detailed

Formula C21H24O12
IUPAC Name 3-[4,5-dihydroxy-3-(3-hydroxybuta-1,3-dienylidene)-6-[(3e)-3-(hydroxymethylene)cyclopropen-1-yl]cyclohepta-1,4,6-trien-1-yl]-4-oxo-but-3-en-1-yn-1-olate; (z)-ethene-1,2-diol; hydron; oxygen; trihydrate
Molecular Mass 470.424 g·mol−1
Heat of Formation 58.7 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 532.41 Å 3
Surface Area 441.16 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy -3.89 ± eV
Point Group Symmetry C1
InChIKey BBFYUPYFXSSMNV-YYGXDEILSA-N
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