Cas no 84518-54-7 (3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3R,4R,5R)-)

3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3R,4R,5R)- structure
84518-54-7 structure
Product Name:3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3R,4R,5R)-
CAS No:84518-54-7
MF:C6H13NO4
MW:163.171722173691
CID:1824442
PubChem ID:11094965
Update Time:2025-04-21

3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3R,4R,5R)- Chemical and Physical Properties

Names and Identifiers

    • 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3R,4R,5R)-
    • 84518-54-7
    • DTXSID80454946
    • (2S,3R,4R,5R)-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
    • BDBM50163446
    • SCHEMBL9015606
    • (2S,3R,4R,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol
    • CHEMBL176209
    • Inchi: 1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
    • InChI Key: LXBIFEVIBLOUGU-UHFFFAOYSA-N
    • SMILES: OCC1C(O)C(O)C(O)CN1

Computed Properties

  • Exact Mass: 163.08445790g/mol
  • Monoisotopic Mass: 163.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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
  • XLogP3: -2.3
  • Topological Polar Surface Area: 93?2
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