DISODIUM 1-ICOSYL 2-SULPHONATOSUCCINATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID901005985

Structure

InChI Key SFQDCIUQEFAJAY-UHFFFAOYSA-L
Smiles [Na+].[Na+].O=C([O-])CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
InChI
InChI=1/C24H46O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H46O7S
Molecular Weight 522.26
AlogP -1.37
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 23.0
Polar Surface Area 123.63
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 85455-64-7
NORMAN SUSDAT
PubChem 11970951
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