Sodium ferrocyanide

Relevant Data

Food Additives Approved by WHO:

SODIUM FERROCYANIDE [show]

General Information

Chemical name	Sodium ferrocyanide
E No.	E 535
INS.	535
CAS number	13601-19-9
Group	No
Component of the group	Ferrocyanides (E 535 - 538)

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):

category(ies)	Individual restriction(s)/exception(s)	footnote
There are no applications for this additive

From webgate.ec.europa.eu

Computed Descriptors

2D Structure
CID	54680695
IUPAC Name	sodium;(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethanolate
InChI	InChI=1S/C6H7O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,8-10H,1H2;/q-1;+1/t2-,5-;/m1./s1
InChI Key	RBWSWDPRDBEWCR-RKJRWTFHSA-N
Canonical SMILES	C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+]
Molecular Formula	C6H7O6Na·H2O
Wikipedia	Sodium erythorbate

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 Enediols Hydrocarbon derivatives Alkoxides Lactones Organic oxides Organic zwitterions Organic sodium salts Enoate esters Vinylogous acids Oxacyclic compounds Carbonyl compounds Secondary alcohols
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Carboxylic acid ester - Enediol - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Alkoxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Alcohol - 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