U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C6H11O5S.Na
Molecular Weight 218.203
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3-ALLYLOXY-2-HYDROXY-1-PROPANESULFONATE

SMILES

[Na+].OC(COCC=C)CS([O-])(=O)=O

InChI

InChIKey=CJGJYOBXQLCLRG-UHFFFAOYSA-M
InChI=1S/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);/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 C6H11O5S
Molecular Weight 195.214
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 Mon Mar 31 21:55:13 GMT 2025
Edited
by admin
on Mon Mar 31 21:55:13 GMT 2025
Record UNII
G49391UTKD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3-ALLYLOXY-2-HYDROXY-1-PROPANESULFONATE
Systematic Name English
COPS I
Preferred Name English
1-PROPANESULFONIC ACID, 2-HYDROXY-3-(2-PROPENYLOXY)-, MONOSODIUM SALT
Systematic Name English
SODIUM 3-(ALLYLOXY)-2-HYDROXYPROPANESULPHONATE
Systematic Name English
SODIUM 2-HYDROXY-3-(2-PROPENYLOXY)-1-PROPANESULFONATE
Systematic Name English
1-PROPANESULFONIC ACID, 2-HYDROXY-3-(2-PROPEN-1-YLOXY)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
52556-42-0
Created by admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
PRIMARY
FDA UNII
G49391UTKD
Created by admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
PRIMARY
PUBCHEM
23677323
Created by admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-004-5
Created by admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID6028028
Created by admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
PRIMARY