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Details

Stereochemistry RACEMIC
Molecular Formula C9H16O5
Molecular Weight 204.2203
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 1-(3-OXOHEXANOATE)

SMILES

CCCC(=O)CC(=O)OCC(O)CO

InChI

InChIKey=AGHCATLQZLZHHD-UHFFFAOYSA-N
InChI=1S/C9H16O5/c1-2-3-7(11)4-9(13)14-6-8(12)5-10/h8,10,12H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H16O5
Molecular Weight 204.2203
Charge 0
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 Mon Mar 31 20:17:48 GMT 2025
Edited
by admin
on Mon Mar 31 20:17:48 GMT 2025
Record UNII
C46MSC5YL0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3770, 1-
Preferred Name English
GLYCERYL 1-(3-OXOHEXANOATE)
Common Name English
2,3-DIHYDROXYPROPYL 3-OXOHEXANOATE
Systematic Name English
(±)-GLYCERYL 1-(3-OXOHEXANOATE)
Common Name English
Code System Code Type Description
PUBCHEM
91996704
Created by admin on Mon Mar 31 20:17:48 GMT 2025 , Edited by admin on Mon Mar 31 20:17:48 GMT 2025
PRIMARY
FDA UNII
C46MSC5YL0
Created by admin on Mon Mar 31 20:17:48 GMT 2025 , Edited by admin on Mon Mar 31 20:17:48 GMT 2025
PRIMARY