Cas no 30651-43-5 (D-Homocysteine,S-[(2S)-2-amino-2-carboxyethyl]-)

D-Homocysteine,S-[(2S)-2-amino-2-carboxyethyl]- structure
30651-43-5 structure
Product Name:D-Homocysteine,S-[(2S)-2-amino-2-carboxyethyl]-
CAS No:30651-43-5
MF:C7H14N2O4S
MW:222.262060642242
CID:315781
PubChem ID:12358847
Update Time:2025-04-19

D-Homocysteine,S-[(2S)-2-amino-2-carboxyethyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Homocysteine,S-[(2S)-2-amino-2-carboxyethyl]-
    • (2R,2'R)-Di-tert-butyl 3,3'-disulfanediy
    • (2R,2'R)-di-tert-butyl 3,3'-disulfanediylbis(2-aminopropanoate)dihydrochloride
    • (2R,2'S)-2-(diethylamino)ethyl-2-[(naphth-1-yl)methyl]-3-(tetrahydro-2-yl)propanoate
    • D,D-Cystathionin
    • D,D-cystathionine
    • L-Cystin-di-tert-butylester-dihydrochlorid
    • L-cystine di-tert-butyl ester, dihydrochloride
    • L-Cystinyl-di-tert-butylester
    • 30651-43-5
    • (R)-2-Amino-4-(((S)-2-amino-2-carboxyethyl)thio)butanoic acid
    • EINECS 250-272-1
    • D-Cystathionine
    • (2R)-2-amino-4-[(2S)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
    • DTXSID801317012
    • (S)-S-(2-Amino-2-carboxyethyl)-D-homocysteine
    • ILRYLPWNYFXEMH-RFZPGFLSSA-N
    • Inchi: 1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m1/s1
    • InChI Key: ILRYLPWNYFXEMH-RFZPGFLSSA-N
    • SMILES: S(C[C@H](C(=O)O)N)CC[C@H](C(=O)O)N

Computed Properties

  • Exact Mass: 222.06752
  • Monoisotopic Mass: 222.06742811g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6
  • Topological Polar Surface Area: 152?2

Experimental Properties

  • PSA: 126.64
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