2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-4-Oxo-4H-Chromen-7-Yl 6-Deoxy-β-D-Allopyranoside

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Properties Simple | Detailed

Formula C21H21O11+
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 449.385 g·mol−1
Heat of Formation -1737.7 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 469.02 Å 3
Surface Area 399.64 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey QPHXPNUXTNHJOF-NBLZTSJTSA-N
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Elements H C O