SODIUM GLUCONATE

Relevant Data

Food Additives Approved by WHO:

SODIUM GLUCONATE [show]

Food Additives Approved by European Union:

Sodium gluconate [show]

General Information

Mainterm	SODIUM GLUCONATE
Doc Type	ASP
CAS Reg.No.(or other ID)	527-07-1
Regnum	178.1010 182.6757

From www.fda.gov

Computed Descriptors

2D Structure
CID	23672301
IUPAC Name	sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI	InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
InChI Key	UPMFZISCCZSDND-JJKGCWMISA-M
Canonical SMILES	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
Molecular Formula	C6H11NaO7(anhydrous)
Wikipedia	sodium gluconate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	218.137
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Complexity	176.0
CACTVS Substructure Key Fingerprint	A A A D c c B g O C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Y A A A A A Q A A F I A A B A A H K b A R A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	141.0
Monoisotopic Mass	218.04
Exact Mass	218.04
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	14
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Sugar acids and derivatives
Alternative Parents	Beta hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Organic oxides Monocarboxylic acids and derivatives Carbonyl compounds Hydroxy fatty acids Primary alcohols Hydrocarbon derivatives Monosaccharides Organic zwitterions Organic sodium salts Polyols Medium-chain fatty acids Carboxylic acids Secondary alcohols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Polyol - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Alcohol - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

From ClassyFire