4-[1-(4-Hydroxyphenyl)-3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl]Phenyl Hexopyranosiduronate

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Properties Simple | Detailed

Formula C26H22O10
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-[(1r)-1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 494.447 g·mol−1
Heat of Formation -1450.0 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 535.35 Å 3
Surface Area 438.25 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey FXJYOZKDDSONLX-MDPQNUMESA-N
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Elements H C O