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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H11O7.Ba
Molecular Weight 527.6221
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM GLUCONATE

SMILES

C([C@]([H])([C@]([H])([C@@]([H])([C@]([H])(C(=O)[O-])O)O)O)O)O.C([C@]([H])([C@]([H])([C@@]([H])([C@]([H])(C(=O)[O-])O)O)O)O)O.[Ba+2]

InChI

InChIKey=PECPTSUHUFWKDG-IYEMJOQQSA-L
InChI=1S/2C6H12O7.Ba/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1

HIDE SMILES / InChI

Molecular Formula Ba
Molecular Weight 137.3269
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11O7
Molecular Weight 195.1476
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:00:55 UTC 2021
Edited
by admin
on Sat Jun 26 06:00:55 UTC 2021
Record UNII
C23395US5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARIUM GLUCONATE
INCI  
INCI  
Official Name English
GLUCONIC ACID, BARIUM SALT (2:1), D-
Common Name English
D-GLUCONIC ACID, BARIUM SALT (2:1)
Common Name English
BARIUM GLUCONATE [INCI]
Common Name English
NSC-1945
Code English
Code System Code Type Description
FDA UNII
C23395US5P
Created by admin on Sat Jun 26 06:00:55 UTC 2021 , Edited by admin on Sat Jun 26 06:00:55 UTC 2021
PRIMARY
CAS
22561-74-6
Created by admin on Sat Jun 26 06:00:55 UTC 2021 , Edited by admin on Sat Jun 26 06:00:55 UTC 2021
PRIMARY
ECHA (EC/EINECS)
245-081-5
Created by admin on Sat Jun 26 06:00:55 UTC 2021 , Edited by admin on Sat Jun 26 06:00:55 UTC 2021
PRIMARY
PUBCHEM
89753
Created by admin on Sat Jun 26 06:00:55 UTC 2021 , Edited by admin on Sat Jun 26 06:00:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE