Cas no 177794-04-6 (Calystegine A6)

Calystegine A6 structure
Calystegine A6 structure
Product Name:Calystegine A6
CAS No:177794-04-6
MF:C7H13NO3
MW:159.183022260666
CID:2087190
PubChem ID:85271756
Update Time:2025-04-21

Calystegine A6 Chemical and Physical Properties

Names and Identifiers

    • Calystegine A6
    • NS00094403
    • 177794-04-6
    • 9XUM63JU7F
    • (1R,2S,5S,7R)-8-AZABICYCLO(3.2.1)OCTANE-1,2,7-TRIOL
    • DTXSID901221583
    • (1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol
    • FS-6675
    • 8-Azabicyclo(3.2.1)octane-1,2,7-triol, (1S,2S,5S,7S)-
    • (1R,2R,5R,7R)-8-azabicyclo[3.2.1]octane-1,2,7-triol
    • AKOS040735546
    • CHEBI:173685
    • Inchi: 1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2/t4-,5-,6-,7-/m0/s1
    • InChI Key: YOBNKFROEGVQPW-AXMZGBSTSA-N
    • SMILES: O[C@@]12[C@H](CC[C@@H](C[C@@H]1O)N2)O

Computed Properties

  • Exact Mass: 159.08954328g/mol
  • Monoisotopic Mass: 159.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 72.7?2

Experimental Properties

  • Color/Form: Powder
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