Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key UGAJXYFECGBUFM-UHFFFAOYSA-L
Smiles [Na+].[Na+].O[As](=O)(O)CC(=O)[O-].O[As](=O)(O)CC(=O)[O-]
InChI
InChI=1/2C2H5AsO5.2Na/c2*4-2(5)1-3(6,7)8;;/h2*1H2,(H,4,5)(H2,6,7,8);;/q;;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5AsO5.2Na
Molecular Weight 411.83
AlogP -11.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 195.32
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 126-82-9
NORMAN SUSDAT