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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H22NO11S3.K
Molecular Weight 491.596
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Glucoerysolin potassium salt

SMILES

[K+].CS(=O)(=O)CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS([O-])(=O)=O

InChI

InChIKey=MRWGDPZZBCERIT-DHPXDJSUSA-M
InChI=1S/C12H23NO11S3.K/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12;/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22);/q;+1/p-1/b13-8+;/t7-,9-,10+,11-,12+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C12H22NO11S3
Molecular Weight 452.498
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
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 Mon Mar 31 22:30:58 GMT 2025
Edited
by admin
on Mon Mar 31 22:30:58 GMT 2025
Record UNII
7XH95MK74G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-D-Glucopyranose, 1-thio-, 1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate], potassium salt
Preferred Name English
Glucoerysolin potassium salt
Common Name English
Code System Code Type Description
FDA UNII
7XH95MK74G
Created by admin on Mon Mar 31 22:30:58 GMT 2025 , Edited by admin on Mon Mar 31 22:30:58 GMT 2025
PRIMARY
CAS
22149-26-4
Created by admin on Mon Mar 31 22:30:58 GMT 2025 , Edited by admin on Mon Mar 31 22:30:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID40176677
Created by admin on Mon Mar 31 22:30:58 GMT 2025 , Edited by admin on Mon Mar 31 22:30:58 GMT 2025
PRIMARY
CHEBI
5405
Created by admin on Mon Mar 31 22:30:58 GMT 2025 , Edited by admin on Mon Mar 31 22:30:58 GMT 2025
PRIMARY
PUBCHEM
56841026
Created by admin on Mon Mar 31 22:30:58 GMT 2025 , Edited by admin on Mon Mar 31 22:30:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE