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

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Properties Simple | Detailed

Formula C21H21O12+
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 465.384 g·mol−1
Heat of Formation -1874.5 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 479.07 Å 3
Surface Area 405.58 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey BBFYUPYFXSSMNV-RONSJCHFSA-N
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Elements H C O