SODIUM TARTRATE

Relevant Data

Food Additives Approved by WHO:

SODIUM L(+)-TARTRATE [show]

General Information

Mainterm	SODIUM TARTRATE
Doc Type	NUL
CAS Reg.No.(or other ID)	868-18-8
Regnum	150.141 150.161 133.179 133.169 133.173 184.1801

From www.fda.gov

Computed Descriptors

2D Structure
CID	13355
IUPAC Name	disodium;2,3-dihydroxybutanedioate
InChI	InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChI Key	HELHAJAZNSDZJO-UHFFFAOYSA-L
Canonical SMILES	C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
Molecular Formula	C4H4O6Na2·2H2O
Wikipedia	sodium tartrate dihydrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	194.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Complexity	123.0
CACTVS Substructure Key Fingerprint	A A A D c Y B g O D 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 Q A A A A A Q A A F I A A B A A B D 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 = =
Topological Polar Surface Area	121.0
Monoisotopic Mass	193.98
Exact Mass	193.98
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	12
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Subclass	Beta hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta hydroxy acids and derivatives
Alternative Parents	Organic oxides Carbonyl compounds Hydrocarbon derivatives Monosaccharides Organic sodium salts Fatty acids and conjugates Dicarboxylic acids and derivatives Short-chain hydroxy acids and derivatives Carboxylic acids Secondary alcohols 1,2-diols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

From ClassyFire