Cas no 66512-75-2 ((2R,2'S)-)

(2R,2'S)- structure
(2R,2'S)- structure
Product Name:(2R,2'S)-
CAS No:66512-75-2
MF:C7H13NO4S
MW:207.24742102623
CID:2001408
PubChem ID:14889929
Update Time:2025-04-21

(2R,2'S)- Chemical and Physical Properties

Names and Identifiers

    • (2R,2'S)-
    • S-(2-Carboxypropyl-)cystein
    • beta-Isobuteine
    • (2R,2'S)-Isobuteine
    • 3-(2-amino-2-carboxyethyl)sulanyl-2-methylpropanoic acid
    • CHEBI:172450
    • SCHEMBL6233758
    • 2-AMINO-3-[(2-CARBOXY-2-METHYLETHYL)SULFANYL]PROPANOIC ACID
    • S-(2-Carboxypropyl)-D-cysteine
    • DTXSID40792331
    • 66512-75-2
    • Inchi: 1S/C7H13NO4S/c1-4(6(9)10)2-13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)
    • InChI Key: QSPWUNSFUXUUDG-UHFFFAOYSA-N
    • SMILES: S(CC(C(=O)O)N)CC(C(=O)O)C

Computed Properties

  • Exact Mass: 207.05652907g/mol
  • Monoisotopic Mass: 207.05652907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.6
  • Topological Polar Surface Area: 126?2
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