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

• ChemBase ID: 102926
• Molecular Formular: C6H14Cl2N2O4S2
• Molecular Mass: 313.22236
• Monoisotopic Mass: 311.9772043
• SMILES: Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
• Canonical SMILES: N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N.Cl.Cl
• InChI: InChI=1S/C6H12N2O4S2.2ClH/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);2*1H/t3-,4-;;/m0../s1
• InChIKey: HHGZUQPEIHGQST-RGVONZFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid dihydrochloride
• IUPAC Traditional name: L-cystine dihydrochloride
• Synonyms: L-CYSTINE DIHYDROCHLORIDE; L-Cystine dihydrochloride; L-胱氨酸 二盐酸盐

Database IDs

• CAS Number: 30925-07-6
• EC Number: 250-391-9
• MDL Number: MFCD00070399
• PubChem SID: 162089286; 24892501; 24892885
• PubChem CID: 21121987

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

Physical Property

• Solubility: 2 M HCl: soluble50 mg/mL
• Melting Point: 228-232°C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98% (TLC); ≥98.0% dry basis
• Suitability: suitable for cell culture
• Impurities: endotoxin, tested
• Biological Source: from non-animal source

DETAILS

MP Biomedicals - 02105576

Dihydrochloride

MP Biomedicals - 02194650

Cell Culture Reagent
Dihydrochloride