2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-4H-Chromen-7-Yl L-Glucopyranoside

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Properties Simple | Detailed

Formula C21H20O11
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 448.377 g·mol−1
Heat of Formation -1753.9 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 470.4 Å 3
Surface Area 397.18 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey PEFNSGRTCBGNAN-JFHUYLGKSA-N
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Elements H C O