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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H9O7.Na
Molecular Weight 216.1212
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-KETOGLUCONATE

SMILES

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

InChI

InChIKey=OFCZUBZXJNUXBT-PSRPMNHMSA-M
InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+;/m1./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 Na
Molecular Weight 22.9898
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 Sat Dec 16 06:58:19 GMT 2023
Edited
by admin
on Sat Dec 16 06:58:19 GMT 2023
Record UNII
18CI53879Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-KETOGLUCONATE
Common Name English
SODIUM (3S,4R,5R)-3,4,5,6-TETRAHYDROXY-2-OXOHEXANOATE
Systematic Name English
SODIUM 2-OXOGLUCONATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00933768
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
FDA UNII
18CI53879Z
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-066-2
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
PUBCHEM
23673714
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
CAS
14984-38-4
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE