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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12FO3.Li
Molecular Weight 218.151
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lithium (5S)-5-(4-fluorophenyl)-5-hydroxypentanoate

SMILES

[Li+].O[C@@H](CCCC([O-])=O)C1=CC=C(F)C=C1

InChI

InChIKey=FIJMGIHSUXBTOU-PPHPATTJSA-M
InChI=1S/C11H13FO3.Li/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15;/h4-7,10,13H,1-3H2,(H,14,15);/q;+1/p-1/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H12FO3
Molecular Weight 211.2096
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Li
Molecular Weight 6.941
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:29:04 GMT 2025
Edited
by admin
on Wed Apr 02 20:29:04 GMT 2025
Record UNII
2W7EM23TNQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lithium (5S)-5-(4-fluorophenyl)-5-hydroxypentanoate
Systematic Name English
Benzenepentanoic acid, 4-fluoro-?-hydroxy-, lithium salt (1:1), (?S)-
Preferred Name English
Code System Code Type Description
FDA UNII
2W7EM23TNQ
Created by admin on Wed Apr 02 20:29:04 GMT 2025 , Edited by admin on Wed Apr 02 20:29:04 GMT 2025
PRIMARY
PUBCHEM
91662821
Created by admin on Wed Apr 02 20:29:04 GMT 2025 , Edited by admin on Wed Apr 02 20:29:04 GMT 2025
PRIMARY
CAS
1807901-38-7
Created by admin on Wed Apr 02 20:29:04 GMT 2025 , Edited by admin on Wed Apr 02 20:29:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE