SODIUM ASCORBATE

Relevant Data

Food Additives Approved by WHO:

SODIUM ASCORBATE [show]

Food Additives Approved by European Union:

Sodium ascorbate [show]

General Information

Mainterm	SODIUM ASCORBATE
Doc Type	ASP
CAS Reg.No.(or other ID)	134-03-2
Regnum	155.200 182.3731

From www.fda.gov

Computed Descriptors

2D Structure
CID	23667548
IUPAC Name	sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
InChI	InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
InChI Key	PPASLZSBLFJQEF-RXSVEWSESA-M
Canonical SMILES	C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
Molecular Formula	C6H7O6Na
Wikipedia	sodium ascorbate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	198.106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Complexity	237.0
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 Q 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 B g C I A A D Q C A I A A A A g I A A A C A B A A E g B F A A A I A A C U A A F w A A L I Q J 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 = =
Topological Polar Surface Area	110.0
Monoisotopic Mass	198.014
Exact Mass	198.014
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	13
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	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Lactones Organic oxides Organic zwitterions Organic sodium salts Enoate esters Vinylogous acids Oxacyclic compounds Carbonyl compounds Secondary alcohols 1,2-diols
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic salt - Organic sodium salt - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

From ClassyFire