ChemFOnt: Showing chemical card for Iron(II) lactate (CFc000282978)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 03:35:49 UTC

Chemfont ID

CFc000282978

Molecule Identification

Common Name

Iron(II) lactate

Definition

Nutrient supplement. May be used in infant formulas. Ferrous lactate, or iron(II) lactate, is a chemical compound consisting of one atom of iron (Fe2+) and two lactate anions. It has the chemical formula Fe(C3H5O3)2. It is used as a food additive with E number E585. It is an acidity regulator and colour retention agent, and is also used to fortify foods with iron.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Iron(II) lactic acid	Generator
2-Hydroxypropanoic acid, iron(2+) salt	MeSH
Ferrous lactate	MeSH

Chemical Formula

C₆H₁₀FeO₆

Average Molecular Weight

233.985

Monoisotopic Molecular Weight

233.982680185

IUPAC Name

λ²-iron(2+) ion bis(2-hydroxypropanoate)

Traditional Name

λ²-iron(2+) ion dilactate

CAS Registry Number

5905-52-2

SMILES

[Fe++].CC(O)C([O-])=O.CC(O)C([O-])=O

InChI Identifier

InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

InChI Key

DKKCQDROTDCQOR-UHFFFAOYSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic acid salts

Alternative Parents

Substituents

Secondary alcohol
Carboxylic acid salt
Organic transition metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organic zwitterion
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

lactate salt (CHEBI:81048 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0303462)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	165 g/L	ALOGPS
logP	-0.42	ALOGPS
logP	-0.47	ChemAxon
logS	-0.15	ALOGPS
pKa (Strongest Acidic)	3.78	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.36 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	29.68 m³·mol⁻¹	ChemAxon
Polarizability	7.65 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0303462

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB013684

KNApSAcK ID

Not Available

Chemspider ID

20839

KEGG Compound ID

C17382

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Iron(II) lactate

METLIN ID

Not Available

PubChem Compound

22197

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Iron(II) lactate (CFc000282978)

MOL for CFc000282978 (Iron(II) lactate)

3D MOL for CFc000282978 (Iron(II) lactate)

3D SDF for CFc000282978 (Iron(II) lactate)

3D-SDF for CFc000282978 (Iron(II) lactate)

PDB for CFc000282978 (Iron(II) lactate)

3D PDB for CFc000282978 (Iron(II) lactate)

SMILES for CFc000282978 (Iron(II) lactate)

INCHI for CFc000282978 (Iron(II) lactate)

Structure for CFc000282978 (Iron(II) lactate)

3D Structure for CFc000282978 (Iron(II) lactate)