Methyl (2S)-4-(3,4-Dihydro-2H-β-Carbolin-1-Ylmethyl)-2-(β-D-Glucopyranosyloxy)-3-Vinyl-3,4-Dihydro-2H-Pyran-5-Carboxylate

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Properties Simple | Detailed

Formula C27H14N2O9
IUPAC Name [2-[5-ethynyl-3-(oxomethylene)-6-[3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-pyran-4-ylidene]-1-(3-methylene-3ah-indol-1-ium-2-yl)vinyl]-methylidyne-ammonium; formaldehyde
Molecular Mass 510.408 g·mol−1
Heat of Formation 1925.6 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 547.78 Å 3
Surface Area 464.95 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -3.12 ± eV
Point Group Symmetry C1
InChIKey GBXUQSDDFGRJFS-FQHIONDPSA-N
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