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

• ChemBase ID: 127865
• Molecular Formular: C6H10FeO6
• Molecular Mass: 233.985
• Monoisotopic Mass: 233.98267554
• SMILES: [Fe+2].[O-]C(=O)C(O)C.[O-]C(=O)C(O)C
• Canonical SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2]
• InChI: InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
• InChIKey: DKKCQDROTDCQOR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(2-hydroxypropanoate)
• IUPAC Traditional name: λ^2-iron(2+) ion dilactate
• Synonyms: Iron dilactate; Iron(II) lactate; E585; Iron(II) lactate

Database IDs

• CAS Number: 5905-52-2
• PubChem SID: 162222182
• PubChem CID: 22197
• Chemspider ID: 20839
• Wikipedia Title: Iron(II)_lactate

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

PROPERTIES

Physical Property

• Solubility: trihydrate: ; 2.1 g/100 mL (10 °C) ; 8.5 g/100 mL (100 °C) in water; soluble in alkali citrates ; negligible in alcohol ; insoluble in ether
• Apperance: greenish-white powder