Cas no 115649-93-9 (6,7,8-Indolizinetriol,octahydro-, (6S,7R,8R,8aR)-)

6,7,8-Indolizinetriol,octahydro-, (6S,7R,8R,8aR)- structure
115649-93-9 structure
Product Name:6,7,8-Indolizinetriol,octahydro-, (6S,7R,8R,8aR)-
CAS No:115649-93-9
MF:C8H15NO3
MW:173.209602594376
CID:177690
PubChem ID:195154
Update Time:2025-04-19

6,7,8-Indolizinetriol,octahydro-, (6S,7R,8R,8aR)- Chemical and Physical Properties

Names and Identifiers

    • 6,7,8-Indolizinetriol,octahydro-, (6S,7R,8R,8aR)-
    • 1-deoxycastanospermine
    • (6S,7R,8R,8aR)-octahydroindolizine-6,7,8-triol
    • 1-Deoxy-6,8a-diepicastanospermine
    • 1-Deoxy-6-epicastanospermine
    • 6,7,8-Indolizinetriol, octahydro-, (6S-(6alpha,7beta,8alpha,8aalpha))-
    • 6,7,8-Trihydroxyindolizidine
    • 115649-93-9
    • DTXSID00921781
    • 1-deoxy-8a-epi-castanospermine
    • octahydroindolizine-6,7,8-triol
    • 6,7,8-trihydroxy-indolizidine
    • 1-deoxy-castanospermine
    • (6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
    • Inchi： 1S/C8H15NO3/c10-6-4-9-3-1-2-5(9)7(11)8(6)12/h5-8,10-12H,1-4H2/t5-,6+,7-,8-/m1/s1
    • InChI Key： NCQXPGNMJJWGLP-ULAWRXDQSA-N
    • SMILES： O[C@H]1[C@@H]([C@H](CN2CCC[C@@H]21)O)O

Computed Properties

  • Exact Mass: 173.105193
  • Monoisotopic Mass: 173.105193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.9
  • XLogP3: -1.3

Experimental Properties

  • Density: 1.38
  • Boiling Point: 353.3°Cat760mmHg
  • Flash Point: 209.7°C
  • Refractive Index: 1.608

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