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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H9O7.Ca
Molecular Weight 426.341
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 2-KETOGLUCONATE

SMILES

[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C([O-])=O

InChI

InChIKey=NNLOHLDVJGPUFR-JQTJLMCZSA-L
InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-4,7-10H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+;/m11./s1

HIDE SMILES / InChI

Molecular Formula C6H9O7
Molecular Weight 193.1315
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Sat Dec 16 11:07:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:24 GMT 2023
Record UNII
8K5SM7SI6Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 2-KETOGLUCONATE
Common Name English
D-ARABINO-2-HEXULOSONIC ACID, CALCIUM SALT
Systematic Name English
D-ARABINO-2-HEXULOSONIC ACID, CALCIUM SALT (2:1)
Systematic Name English
CALCIUM 2-KETO-D-GLUCONATE
Common Name English
CALCIUM KETOGLUCONATE [INCI]
Common Name English
CALCIUM KETOGLUCONATE
INCI  
INCI  
Official Name English
CALCIUM 2-KETOGLUCONATE, (-)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00950834
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
CAS
28098-92-2
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
8K5SM7SI6Y
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
RXCUI
1869046
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
PUBCHEM
25113463
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
CAS
3470-37-9
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
DAILYMED
8K5SM7SI6Y
Created by admin on Sat Dec 16 11:07:25 GMT 2023 , Edited by admin on Sat Dec 16 11:07:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE