zinc(2+) ion (2R)-2-amino-3-sulfanidylpropanoate hydrochloride

• ChemBase ID: 179583
• Molecular Formular: C3H6ClNO2SZn
• Molecular Mass: 220.98324
• Monoisotopic Mass: 218.90991912
• SMILES: [C@H](C[S-])(C(=O)[O-])N.[Zn+2].Cl
• Canonical SMILES: [O-]C(=O)[C@H](C[S-])N.Cl.[Zn+2]
• InChI: InChI=1S/C3H7NO2S.ClH.Zn/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;/q;;+2/p-2/t2-;;/m0../s1
• InChIKey: ZACWWEXAGRDPTH-JIZZDEOASA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion (2R)-2-amino-3-sulfanidylpropanoate hydrochloride
• IUPAC Traditional name: zinc(2+) ion L-cysteinate(2-) hydrochloride
• Synonyms: [L-Cysteinato(2-)-κO,κS]zinc Hydrochloride; Zinc Cysteinate Hydrochloride

Database IDs

• CAS Number: 549521-94-0
• PubChem SID: 164235493
• PubChem CID: 10443488

CALCULATED PROPERTIES

• Acid pKa: 2.3459952
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7920592
• LogD (pH = 7.4): -2.8006835
• Log P: -2.7921333
• Molar Refractivity: 39.8029 cm^3
• Polarizability: 11.464179 Å^3
• Polar Surface Area: 66.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - Z439600

Increases activity of the antioxidative enzymes Catalase and Glutathione Peroxidase, thereby protecting retinal epithelial cells from high hydrogen peroxide concentrations.

REFERENCES

• Hanley, W., et al.: Chem-Biol. Interactions, 21, 263 (1978)