2-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Ethyl Hexopyranosiduronic Acid

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Properties Simple | Detailed

Formula C15H20O10
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 360.313 g·mol−1
Heat of Formation -1684.8 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 395.33 Å 3
Surface Area 351.55 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey JSGYXENDBAJOJI-HHVBASFHSA-N
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Elements H C O