(2S,3R,4S)-2-(β-L-Glucopyranosyloxy)-4-[(1S)-2,3,4,9-Tetrahydro-1H-β-Carbolin-1-Ylmethyl]-3-Vinyl-3,4-Dihydro-2H-Pyran-5-Carboxylic Acid

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Formula C26H32N2O9
IUPAC Name (2s,3s,4s)-4-[[(1s)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium-9a-ylium-1-yl]methyl]-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylic acid
Molecular Mass 516.540 g·mol−1
Heat of Formation -1371.3 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 595.39 Å 3
Surface Area 490.52 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey CMMIVMFGFIBAGC-NKCVCUGUSA-N
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