5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-Glucopyranosyloxy)-3-Vinyl-3,4-Dihydro-2H-Pyran-4-Yl]Vinyl}-1-(2-Hydroxyethyl)-3-Pyridiniumcarboxylate

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Formula C19H33NO12
IUPAC Name (2s,3r,4s)-4-[(1e,3e)-4-amino-3-methyl-buta-1,3-dienyl]-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate trihydrate
Molecular Mass 467.465 g·mol−1
Heat of Formation -1751.6 ± 16.7 kJ·mol−1
Dipole Moment 14.85 ± 1.08 D
Volume 590.9 Å 3
Surface Area 498.21 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey DXFHNEGQVDLRDO-KBCYOOEFSA-N
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