2-amino-5-carbamimidamidopentanoic acid; sulfuric acid

• ChemBase ID: 132159
• Molecular Formular: C6H16N4O6S
• Molecular Mass: 272.27944
• Monoisotopic Mass: 272.07905525
• SMILES: C(CC(C(=O)O)N)CNC(=N)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.NC(=N)NCCCC(C(=O)O)N
• InChI: InChI=1S/C6H14N4O2.H2O4S/c7-4(5(11)12)2-1-3-10-6(8)9;1-5(2,3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);(H2,1,2,3,4)
• InChIKey: TUAXNBXNWXXFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-carbamimidamidopentanoic acid; sulfuric acid
• IUPAC Traditional name: arginine; sulfuric acid
• Synonyms: Poly-L-arginine sulfate salt; 聚-L-精氨酸 硫酸盐

Database IDs

• CAS Number: 26700-68-5
• MDL Number: MFCD00166388
• PubChem SID: 162226436; 24898737
• PubChem CID: 16219876

CALCULATED PROPERTIES

• Acid pKa: 2.4118378
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.0672293
• LogD (pH = 7.4): -4.8457246
• Log P: -3.1559374
• Molar Refractivity: 53.9231 cm^3
• Polarizability: 16.904032 Å^3
• Polar Surface Area: 125.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Mol. Weight: average Mv 15,000-50,000; average Mv 50,000-150,000; mol wt 15,000-50,000

DETAILS

Sigma Aldrich - P7637

Analysis Note
Molecular weight based on viscosity. Also assayed by MALLS.
Other Notes
For additional technical information on polyamino acids please visit the Polyamino acid FAQ resource.