disodium (2R)-2-amino-3-{[(2R)-2-amino-2-carboxylatoethyl]disulfanyl}propanoate hydrate

• ChemBase ID: 102389
• Molecular Formular: C6H12N2Na2O5S2
• Molecular Mass: 302.27942
• Monoisotopic Mass: 301.99830206
• SMILES: O.[Na+].[Na+].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.O.[Na+].[Na+]
• InChI: InChI=1S/C6H12N2O4S2.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t3-,4-;;;/m0.../s1
• InChIKey: TVPDKJXPEMKMDM-BLZBDRIDSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (2R)-2-amino-3-{[(2R)-2-amino-2-carboxylatoethyl]disulfanyl}propanoate hydrate
• IUPAC Traditional name: disodium L-cystine anion hydrate
• Synonyms: L-CYSTINE DISODIUM SALT HYDRATE

Database IDs

• CAS Number: 64704-23-0
• EC Number: 265-025-3
• PubChem SID: 162089588
• PubChem CID: 71299670

CALCULATED PROPERTIES

• Acid pKa: 1.5564231
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.897319
• LogD (pH = 7.4): -5.9155164
• Log P: -5.897688
• Molar Refractivity: 76.546 cm^3
• Polarizability: 21.944845 Å^3
• Polar Surface Area: 132.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02101458

Disodium Salt
Hydrate
Purity: 99%