(1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol

Base Information

• Chemical Name: (1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol
• CAS No.: 177794-04-6
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.18
• UNII: 9XUM63JU7F
• DSSTox Substance ID: DTXSID901221583
• Nikkaji Number: J865.370D
• Wikidata: Q105351224
• Mol file: 177794-04-6.mol

Synonyms:(1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol;9XUM63JU7F;DTXSID901221583;(1R,2S,5S,7R)-8-AZABICYCLO(3.2.1)OCTANE-1,2,7-TRIOL;17794-04-6

Chemical Property of (1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol

Chemical Property:

• PSA: 72.72000
• LogP: -1.11870
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

CalystegineA6 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C2(C(CC1N2)O)O)O
• Isomeric SMILES: C1C[C@@H]([C@@]2([C@H](C[C@H]1N2)O)O)O