DISODIUM LAURETH-6 SULFOSUCCINATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII QR6M8193HB

Structure

InChI Key XJEHKNULBCOALB-UHFFFAOYSA-N
Smiles [Na+].[Na+].CCCCCCCCCCCCOCCOC(=O)CC(C([O-])=O)[S]([O-])(=O)=O
InChI
InChI=1S/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O8S1
Molecular Weight 454.16
AlogP -4.47
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 18.0
Polar Surface Area 132.86
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 58450-52-5
NORMAN SUSDAT
FDA SRS QR6M8193HB
PubChem 62905
ChemSpider 56630.0
CONTENTS