1,5-Anhydro-1-[2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Oxo-4H-Chromen-6-Yl]Hexitol

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Properties Simple | Detailed

Formula C22H22O11
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 462.403 g·mol−1
Heat of Formation 771.8 ± 16.7 kJ·mol−1
Dipole Moment 11.10 ± 1.08 D
Volume 449.99 Å 3
Surface Area 407.99 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -3.40 ± eV
Point Group Symmetry C1
InChIKey DLVLXOYLQKCAME-ISLLMKKTSA-N
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Elements C O