(1R,4S,5R,6R,8R)-2-Benzyl-8-(Hydroxymethyl)-2-Azabicyclo[2.2.2]Octane-4,5,6-Triol

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Formula C15H21NO4
IUPAC Name (1r,2s,4s,5r,6r,8r)-2-benzyl-8-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,5,6-triol
Molecular Mass 279.332 g·mol−1
Heat of Formation -668.7 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 323.15 Å 3
Surface Area 273.99 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r,5r,6r,7r)-3-(benzyl)-7-methylol-3-azabicyclo[2.2.2]octane-1,5,6-triol
  • (1s,4r,5r,6r,7r)-7-(hydroxymethyl)-3-(phenylmethyl)-3-azabicyclo[2.2.2]octane-1,5,6-triol
InChIKey XOLGFLJPIWWVBX-KJWHEZOQSA-N
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