MONOSODIUM L(+)-TARTRATE

General Information

CAS number:	526-94-3
INS:	335(i)
Functional Class:	Food Additives SEQUESTRANT STABILIZER

From apps.who.int

Evaluations

Evaluation year:	1977
ADI:	0-30 mg/kg bw
Meeting:	21
Specs Code:	O
Comments:	Expressed as L(+)-tartaric acid
Report:	TRS 617-JECFA 21/13
Tox Monograph:	FAS 12-JECFA 21/9
Specification:	NOT PREPARED

From apps.who.int

Computed Descriptors

2D Structure
CID	23684900
IUPAC Name	sodium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
InChI	InChI=1S/C4H6O6.Na/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1
InChI Key	NKAAEMMYHLFEFN-ZVGUSBNCSA-M
Canonical SMILES	C(C(C(=O)[O-])O)(C(=O)O)O.[Na+]
Molecular Formula	C4H5O6Na·H2O
Wikipedia	Monosodium tartrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	172.068
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Complexity	157.0
CACTVS Substructure Key Fingerprint	A A A D c Y 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 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	118.0
Monoisotopic Mass	171.998
Exact Mass	171.998
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	11
Defined Atom Stereocenter Count	2
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 Organic oxides Carbonyl compounds Short-chain hydroxy acids and derivatives Hydrocarbon derivatives Monosaccharides Organic sodium salts Fatty acids and conjugates Dicarboxylic acids and derivatives Organic cations Alpha hydroxy acids and derivatives Carboxylic acids Secondary alcohols 1,2-diols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Alcohol - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic cation - 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