DISODIUM OLEYL SULFO- SUCCINATE

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

Structure

InChI Key TZPJSMIHSIHKEL-MDZDMXLPSA-N
Smiles [Na+].[Na+].CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
InChI
InChI=1S/C22H40O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2/b10-9+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40O7S1
Molecular Weight 492.21
AlogP -2.37
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 20.0
Polar Surface Area 123.63
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 94213-67-9
NORMAN SUSDAT
PubChem 11971338
ChemSpider 10144719.0
CONTENTS