2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl β-D-Threo-Hexopyranosiduronic Acid

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Properties Simple | Detailed

Formula C21H19O13+
IUPAC Name (2s,3s,4r,5s,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 479.368 g·mol−1
Heat of Formation -2050.2 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 481.91 Å 3
Surface Area 381.12 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey DUBCCGAQYVUYEU-VFKUPZNOSA-N
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