Cas no 48176-62-1 (D-Aspartic acid,N-[(4-methylphenyl)sulfonyl]-)

D-Aspartic acid,N-[(4-methylphenyl)sulfonyl]- structure
48176-62-1 structure
Product Name:D-Aspartic acid,N-[(4-methylphenyl)sulfonyl]-
CAS No:48176-62-1
MF:C11H13NO6S
MW:287.28902220726
CID:332258
PubChem ID:681906
Update Time:2025-04-19

D-Aspartic acid,N-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Aspartic acid,N-[(4-methylphenyl)sulfonyl]-
    • N-tosyl-D-aspartic acid
    • SCHEMBL4339865
    • (2R)-2-[(4-methylphenyl)sulfonylamino]butanedioic acid
    • EINECS 256-362-7
    • NS00031775
    • 48176-62-1
    • AKOS020221170
    • DTXSID70197451
    • Inchi: 1S/C11H13NO6S/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
    • InChI Key: SVCQSZKHLAERDL-SECBINFHSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N[C@@H](C(=O)O)CC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 287.04635831g/mol
  • Monoisotopic Mass: 287.04635831g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 433
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 129?2
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