DISODIUM 2,2'-IMINOBIS(ETHANESULPHONATE)

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10207508

Structure

InChI Key DGRPFIPXTOTJTG-UHFFFAOYSA-L
Smiles [Na+].[Na+].O=S(=O)([O-])CCNCCS(=O)(=O)[O-]
InChI
InChI=1/C4H11NO6S2.2Na/c6-12(7,8)3-1-5-2-4-13(9,10)11;;/h5H,1-4H2,(H,6,7,8)(H,9,10,11);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO6S2
Molecular Weight 276.97
AlogP -8.33
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 126.43
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 58779-73-0
NORMAN SUSDAT
PubChem 6453704
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