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.K.H
Molecular Weight 311.4158
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM CAPRYLOYL GLUTAMATE

SMILES

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

InChI

InChIKey=WONHSIFWFDNSCE-PPHPATTJSA-M
InChI=1S/C13H23NO5.K/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;+1/p-1/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H22NO5
Molecular Weight 272.3175
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
JQA7VPQ358
Record Status Validated (UNII)
Record Version