3-(Cyanomethyl)-1-(4-Deoxy-6-Methylhexopyranosyluronosyl)-4-Methoxy-1H-Indole

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Formula C18H20N2O6
IUPAC Name methyl (2r,4s,5s,6r)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 360.361 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 410.18 Å 3
Surface Area 357.65 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey HTFYSSZLIDVAIP-JSQNDZKTSA-N
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