SODIUM 6-ACETAMIDOHEXANOATE

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

Structure

InChI Key UIEHVVUIWRNUKL-UHFFFAOYSA-M
Smiles [Na+].CC(=O)NCCCCCC(=O)[O-]
InChI
InChI=1/C8H15NO3.Na/c1-7(10)9-6-4-2-3-5-8(11)12;/h2-6H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14NNaO3
Molecular Weight 195.09
AlogP -2.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 72.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7234-48-2
NORMAN SUSDAT
CONTENTS