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26700-68-5 molecular structure
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2-amino-5-carbamimidamidopentanoic acid; sulfuric acid

ChemBase ID: 132159
Molecular Formular: C6H16N4O6S
Molecular Mass: 272.27944
Monoisotopic Mass: 272.07905525
SMILES and InChIs

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

Cite this record

CBID:132159 http://www.chembase.cn/molecule-132159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
26700-68-5
MDL Number
MFCD00166388
PubChem SID
162226436
24898737
PubChem CID
16219876

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219876 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4118378  H Acceptors
H Donor LogD (pH = 5.5) -6.0672293 
LogD (pH = 7.4) -4.8457246  Log P -3.1559374 
Molar Refractivity 53.9231 cm3 Polarizability 16.904032 Å3
Polar Surface Area 125.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source
Mol. Weight
average Mv 15,000-50,000 expand Show data source
average Mv 50,000-150,000 expand Show data source
mol wt 15,000-50,000 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P7637 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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