DISODIUM 4-AMINO-4-OXO-2-SULPHONATOBUTYRATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID7095313

Structure

InChI Key VLZJAVWCKUZNME-UHFFFAOYSA-L
Smiles [Na+].[Na+].O=C([O-])C(CC(=O)N)S(=O)(=O)[O-]
InChI
InChI=1/C4H7NO6S.2Na/c5-3(6)1-2(4(7)8)12(9,10)11;;/h2H,1H2,(H2,5,6)(H,7,8)(H,9,10,11);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO6S
Molecular Weight 240.96
AlogP -9.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 141.41
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 64226-51-3
NORMAN SUSDAT
PubChem 174029
CONTENTS