(1S,2R,3S,4R,5S)-8-Azabicyclo[3.2.1]Octane-1,2,3,4-Tetrol

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Properties Simple | Detailed

Formula C7H13NO4
IUPAC Name (1s,2r,3s,4r,5s)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Molecular Mass 175.182 g·mol−1
Heat of Formation -766.6 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 198.84 Å 3
Surface Area 182.48 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • calystegine b2
InChIKey FXFBVZOJVHCEDO-FHKSGDNWSA-N
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