SODIUM MYRISTOYL ISETHIONATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8D42TA2T6V

Structure

InChI Key ADLFDNOTASDSPT-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCC(=O)OCC[S](O)(=O)=O
InChI
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)21-14-15-22(18,19)20/h2-15H2,1H3,(H,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O5S1
Molecular Weight 336.2
AlogP 4.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 80.67
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 37747-10-7
NORMAN SUSDAT
FDA SRS 8D42TA2T6V
PubChem 3084672
ChemSpider 2341698.0
CONTENTS