Cas no 93839-90-8 (1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-)

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)- structure
93839-90-8 structure
Product Name:1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-
CAS No:93839-90-8
MF:C10H16ClNO4S
MW:281.75634098053
CID:813274
PubChem ID:23726172
Update Time:2025-04-19

1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-
    • (1S,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol,hydrochloride
    • DTXSID80917622
    • L-(-)-Threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diol hydrochloride
    • 2-Amino-1-[4-(methanesulfonyl)phenyl]propane-1,3-diol--hydrogen chloride (1/1)
    • EINECS 298-863-3
    • 93839-90-8
    • Inchi: 1S/C10H15NO4S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;/h2-5,9-10,12-13H,6,11H2,1H3;1H/t9-,10-;/m0./s1
    • InChI Key: LDWKRIYCDUIKKD-IYPAPVHQSA-N
    • SMILES: Cl.S(C)(C1C=CC(=CC=1)[C@@H]([C@H](CO)N)O)(=O)=O

Computed Properties

  • Exact Mass: 281.0488569g/mol
  • Monoisotopic Mass: 281.0488569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 303
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 109?2
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