DISODIUM 1,5-DIHYDROXYPENTANE-1,5-DISULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 7E3L9OLC36
EPA CompTox DTXSID9046996

Structure

InChI Key YVGZCLMIVQGEPB-UHFFFAOYSA-N
Smiles [Na+].[Na+].OC(CCCC(O)[S]([O-])(=O)=O)[S]([O-])(=O)=O;[K+].[K+].OC(CCCC(O)[S]([O-])(=O)=O)[S]([O-])(=O)=O;[Na+].[Na+].OC(CCCC(O)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChI=1S/C5H12O8S2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12O8S2
Molecular Weight 264.0
AlogP -1.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 149.2
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 7420-89-5
NORMAN SUSDAT
FDA SRS 7E3L9OLC36
CONTENTS