L-GLUTAMIC ACID, N-(1-OXODODECYL)-, SODIUM SALT (1:1)

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Keyword(s): Drinking Water Chemicals
Molecule Category Salt-form
UNII NCX1UU2D33
EPA CompTox DTXSID90885464

Structure

InChI Key IWIUXJGIDSGWDN-UQKRIMTDSA-M
Smiles [Na+].CCCCCCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O
InChI
InChI=1S/C17H31NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/t14-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H30NNaO5
Molecular Weight 351.2
AlogP -0.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 15.0
Polar Surface Area 110.02
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 29923-31-7
NORMAN SUSDAT
FDA SRS NCX1UU2D33
PubChem 87059442
ChemSpider 84078.0
CONTENTS