(1S,2R,3S,4R,5S,6R)-8-Azabicyclo[3.2.1]Octane-1,2,3,4,6-Pentol

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Formula C7H13NO5
IUPAC Name (1s,2r,3s,4r,5s,6r)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
Molecular Mass 191.182 g·mol−1
Heat of Formation -945.6 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 206.94 Å 3
Surface Area 186.84 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • calystegine c1
InChIKey GGOJRYWHKVYFQK-BIWMIDHDSA-N
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