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

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Properties Simple | Detailed

Formula C19H33NO12
IUPAC Name 5-[(e)-2-[(2s,3r,4s)-3-ethenyl-5-methoxycarbonyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-pyran-4-yl]ethenyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate
Molecular Mass 467.465 g·mol−1
Heat of Formation -1752.3 ± 16.7 kJ·mol−1
Dipole Moment 13.94 ± 1.08 D
Volume 618.11 Å 3
Surface Area 514.8 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey FPYKDTSNMCSLIB-ZHDNQQBJSA-N
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