U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO5.2K
Molecular Weight 349.5061
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPOTASSIUM CAPRYLOYL GLUTAMATE

SMILES

[K+].[K+].CCCCCCCC(=O)N[C@@H](CCC([O-])=O)C([O-])=O

InChI

InChIKey=TWRWROOHGNQOQC-XRIOVQLTSA-L
InChI=1S/C13H23NO5.2K/c1-2-3-4-5-6-7-11(15)14-10(13(18)19)8-9-12(16)17;;/h10H,2-9H2,1H3,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2/t10-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C13H21NO5
Molecular Weight 271.3095
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
5B6MP73J6W
Record Status Validated (UNII)
Record Version