(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid hydrochloride

• ChemBase ID: 157769
• Molecular Formular: C6H13ClN2O4S2
• Molecular Mass: 276.76142
• Monoisotopic Mass: 276.00052659
• SMILES: C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N.Cl
• Canonical SMILES: N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H12N2O4S2.ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);1H/t3-,4-;/m0./s1
• InChIKey: IOCJWNPYGRVHLN-MMALYQPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid hydrochloride
• IUPAC Traditional name: L-cystine hydrochloride
• Synonyms: L-Cystine hydrochloride solution; (2R,2'R)-3,3'-Disulfanediylbis(2-aminopropanoic acid) hydrochloride; L-胱氨酸 盐酸盐 溶液

Database IDs

• CAS Number: 34760-60-6
• MDL Number: MFCD00068399
• Beilstein Number: 4828867
• PubChem SID: 24880828; 162251906
• PubChem CID: 16217312

CALCULATED PROPERTIES

• Acid pKa: 1.5564231
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.897319
• LogD (pH = 7.4): -5.9155164
• Log P: -5.897688
• Molar Refractivity: 54.8718 cm^3
• Polarizability: 22.177225 Å^3
• Polar Surface Area: 126.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Faceshields, Gloves, Goggles
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%
• Concentration: 10 mM amino acid in 0.1 M HCl
• Grade: analytical standard
• Empirical Formula (Hill Notation): C6H12N2O4S2 · HCl