bis(2-hydroxypropanoate);iron(2+)

C6H10FeO6 — CID 22197

IUPACbis(2-hydroxypropanoate);iron(2+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyDKKCQDROTDCQOR-UHFFFAOYSA-L
MW233.98 g/mol
LogP-3.77
Rot. Bonds2

About bis(2-hydroxypropanoate);iron(2+)

bis(2-hydroxypropanoate);iron(2+) (PubChem CID 22197) has the molecular formula C6H10FeO6 and a molecular weight of 233.98 g/mol. Its IUPAC name is bis(2-hydroxypropanoate);iron(2+).

Molecular Properties

Compound Namebis(2-hydroxypropanoate);iron(2+)
PubChem CID22197
Molecular FormulaC6H10FeO6
Molecular Weight233.98 g/mol
Exact Mass233.98
IUPAC Namebis(2-hydroxypropanoate);iron(2+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyDKKCQDROTDCQOR-UHFFFAOYSA-L
XLogP-3.77
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 5-3.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropanoate);iron(2+)?
The IUPAC name of bis(2-hydroxypropanoate);iron(2+) (CID 22197) is bis(2-hydroxypropanoate);iron(2+).
What is the SMILES notation for bis(2-hydroxypropanoate);iron(2+)?
The canonical SMILES for bis(2-hydroxypropanoate);iron(2+) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Fe+2].
What is the InChIKey of bis(2-hydroxypropanoate);iron(2+)?
The InChIKey is DKKCQDROTDCQOR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of bis(2-hydroxypropanoate);iron(2+)?
bis(2-hydroxypropanoate);iron(2+) has a molecular weight of 233.98 g/mol, XLogP of -3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropanoate);iron(2+) is sourced from PubChem (CID 22197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).