2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-4-Oxo-4H-Chromen-7-Yl Hexopyranoside

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Properties Simple | Detailed

Formula C21H20O12
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 464.376 g·mol−1
Heat of Formation 331.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 419.12 Å 3
Surface Area 357.52 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -3.70 ± eV
Point Group Symmetry C1
InChIKey BBFYUPYFXSSMNV-HMGRVEAOSA-M
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