(1R,2S,3R,5S,6R)-8-Azabicyclo[3.2.1]Octane-1,2,3,6-Tetrol

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Formula C7H13NO4
IUPAC Name (1r,2s,3r,5s,6r)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
Molecular Mass 175.182 g·mol−1
Heat of Formation -773.6 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 199.73 Å 3
Surface Area 183.5 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azabicyclo(3.2.1)octane-1,2,3,6-tetrol, (1r,2s,3r,5s,6r)-rel-
CAS Number(s)
  • 127414-86-2
InChIKey BQFFLYRIKODYEN-CXNFULCWSA-N
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