N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Piperidinyl]Methyl}-1-Benzofuran-2-Carboxamide

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Formula C16H20N2O5
IUPAC Name n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-piperidyl]methyl]benzofuran-2-carboxamide
Molecular Mass 320.340 g·mol−1
Heat of Formation -744.6 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 370.31 Å 3
Surface Area 330.03 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]-2-benzofurancarboxamide
  • n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-piperidyl]methyl]benzofuran-2-carboxamide
  • n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
  • n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
InChIKey WSXUKLGXIBOXHU-QFJYNZAASA-N
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