5,8-Dihydroxy-4-Oxo-2-Phenyl-4H-Chromen-7-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C21H19O11+
IUPAC Name (2s,3s,4s,5r,6s)-6-(5,8-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 447.369 g·mol−1
Heat of Formation -1616.5 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 467.98 Å 3
Surface Area 404.08 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey MOFOLNOWFPVLGZ-BHWDSYMASA-N
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