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Details

Stereochemistry RACEMIC
Molecular Formula C7H13O3.Na
Molecular Weight 168.1661
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-(hydroxymethyl)hexanoate

SMILES

[Na+].CCCC(CO)CC([O-])=O

InChI

InChIKey=VLSQPHPPIPJVSG-UHFFFAOYSA-M
InChI=1S/C7H14O3.Na/c1-2-3-6(5-8)4-7(9)10;/h6,8H,2-5H2,1H3,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H13O3
Molecular Weight 145.1763
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:43:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:43 GMT 2025
Record UNII
6PP4LV37Q4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Hydroxymethyl)hexanoic acid sodium
Preferred Name English
Sodium 3-(hydroxymethyl)hexanoate
Systematic Name English
Hexanoic acid, 3-(hydroxymethyl)-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23695190
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY
CAS
2451087-92-4
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY
FDA UNII
6PP4LV37Q4
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE