iron;pentakis(oxygen(2-));bis(tantalum(5+))

Fe2O5Ta2 — CID 173169770

IUPACiron;pentakis(oxygen(2-));bis(tantalum(5+))
SMILES[Fe].[Fe].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5]
InChIInChI=1S/2Fe.5O.2Ta/q;;5*-2;2*+5
InChIKeyYASGGTCVPGRJCA-UHFFFAOYSA-N
MW553.58 g/mol
LogP-0.60
Rot. Bonds

About iron;pentakis(oxygen(2-));bis(tantalum(5+))

iron;pentakis(oxygen(2-));bis(tantalum(5+)) (PubChem CID 173169770) has the molecular formula Fe2O5Ta2 and a molecular weight of 553.58 g/mol. Its IUPAC name is iron;pentakis(oxygen(2-));bis(tantalum(5+)).

Molecular Properties

Compound Nameiron;pentakis(oxygen(2-));bis(tantalum(5+))
PubChem CID173169770
Molecular FormulaFe2O5Ta2
Molecular Weight553.58 g/mol
Exact Mass553.74
IUPAC Nameiron;pentakis(oxygen(2-));bis(tantalum(5+))
SMILES[Fe].[Fe].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5]
InChIInChI=1S/2Fe.5O.2Ta/q;;5*-2;2*+5
InChIKeyYASGGTCVPGRJCA-UHFFFAOYSA-N
XLogP-0.60
TPSA142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.58
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(oxygen(2-));bis(tantalum(5+))
CID 172688843
tetrakis(oxygen(2-));tantalum(5+);ytterbium(3+)
CID 160615055
iron;bis(iron(3+));tris(oxygen(2-))
CID 173005806
nonakis(oxygen(2-));bis(tantalum(5+));bis(zirconium(4+))
CID 18629950
bis(copper(1+));iron;oxygen(2-)
CID 173302119
pentakis(oxygen(2-));bis(tantalum(5+));pentahydrate
CID 172678572
bis(lead(2+));heptakis(oxygen(2-));bis(tantalum(5+))
CID 173055587
oxygen(2-)
CID 134158454
iron;bis(oxygen(2-));titanium(4+);zinc
CID 173438032
calcium;magnesium;hydride;iron;oxygen(2-)
CID 173375700
CID 173000750
CID 173000750
bis(oxosilicon(2+));oxygen(2-);tantalum(5+)
CID 162008817

Frequently Asked Questions

What is the IUPAC name of iron;pentakis(oxygen(2-));bis(tantalum(5+))?
The IUPAC name of iron;pentakis(oxygen(2-));bis(tantalum(5+)) (CID 173169770) is iron;pentakis(oxygen(2-));bis(tantalum(5+)).
What is the SMILES notation for iron;pentakis(oxygen(2-));bis(tantalum(5+))?
The canonical SMILES for iron;pentakis(oxygen(2-));bis(tantalum(5+)) is [Fe].[Fe].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5].
What is the InChIKey of iron;pentakis(oxygen(2-));bis(tantalum(5+))?
The InChIKey is YASGGTCVPGRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.5O.2Ta/q;;5*-2;2*+5.
What are the key properties of iron;pentakis(oxygen(2-));bis(tantalum(5+))?
iron;pentakis(oxygen(2-));bis(tantalum(5+)) has a molecular weight of 553.58 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;pentakis(oxygen(2-));bis(tantalum(5+)) is sourced from PubChem (CID 173169770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).