Cas no 52795-55-8 (1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-)

1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)- structure
52795-55-8 structure
Product Name:1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-
CAS No:52795-55-8
MF:C19H41NO3
MW:331.533746480942
CID:358778
PubChem ID:11142142
Update Time:2025-04-19

1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-
    • (2S,3S,4R)-2-aminononadecane-1,3,4-triol
    • 52795-55-8
    • DTXSID80456763
    • SCHEMBL12279953
    • Inchi: 1S/C19H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)19(23)17(20)16-21/h17-19,21-23H,2-16,20H2,1H3/t17-,18+,19-/m0/s1
    • InChI Key: PEOMDOQZOYXEHH-OTWHNJEPSA-N
    • SMILES: O[C@@H]([C@H]([C@H](CO)N)O)CCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 331.30883
  • Monoisotopic Mass: 331.30864417g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 86.7?2

Experimental Properties

  • PSA: 86.71
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