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

• ChemBase ID: 171750
• Molecular Formular: C7H14FeO6
• Molecular Mass: 250.02746
• Monoisotopic Mass: 250.01397567
• SMILES: [O-]C(=O)C(O)C.[Fe+2].[O-]C(=O)C(O)C.C
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.C.[Fe+2]
• InChI: InChI=1S/2C3H6O3.CH4.Fe/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);1H4;/q;;;+2/p-2
• InChIKey: SYQAMXWBBCBALM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion methane bis(2-hydroxypropanoate)
• IUPAC Traditional name: λ^2-iron(2+) ion methane dilactate
• Synonyms: (T-4)-Bis[2-(hydroxy-κO)propanoato-κO]iron Hydrate; (T-4)-Bis(2-hydroxypropanoato-O1,O2)iron Hydrate; 2-hydroxy-Propanoic Acid Iron Complex Hydrate; CromatonbicFerro Hydrate; E 585 Hydrate; Ferro-Drops Hydrate; Ferrous Lactate Hydrate; Iron(II) Lactate Hydrate

Database IDs

• PubChem SID: 164227660
• PubChem CID: 71749533

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - I775400

Iron(II) Lactate is used in the iron fortification of food products, particularly milk products targeted for infants and toddlers.

REFERENCES

• Kim, Y.-J. et al.: Han. Sikp. Yong. Kwah. Hoechi., 28, 705 (1999)
• Kapsokefalou, M. et al.: Int. J. Food Sci. Nutrit., 56, 293 (1999)
• Catana, M. et al.: Ann. Food Sci. Technol., 10, 16 (1999)