distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))

Fe2O9Sr2Ti2 — CID 173052577

IUPACdistrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))
SMILES[Fe+3].[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ti+4].[Ti+4]
InChIInChI=1S/2Fe.9O.2Sr.2Ti/q2*+3;9*-2;2*+2;2*+4
InChIKeyUZJUXXWNXVHINY-UHFFFAOYSA-N
MW526.66 g/mol
LogP-1.84
Rot. Bonds

About distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))

distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)) (PubChem CID 173052577) has the molecular formula Fe2O9Sr2Ti2 and a molecular weight of 526.66 g/mol. Its IUPAC name is distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)).

Molecular Properties

Compound Namedistrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))
PubChem CID173052577
Molecular FormulaFe2O9Sr2Ti2
Molecular Weight526.66 g/mol
Exact Mass527.53
IUPAC Namedistrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))
SMILES[Fe+3].[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ti+4].[Ti+4]
InChIInChI=1S/2Fe.9O.2Sr.2Ti/q2*+3;9*-2;2*+2;2*+4
InChIKeyUZJUXXWNXVHINY-UHFFFAOYSA-N
XLogP-1.84
TPSA256.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 5-1.84
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

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CID 23083748
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CID 102600762
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Frequently Asked Questions

What is the IUPAC name of distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))?
The IUPAC name of distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)) (CID 173052577) is distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)).
What is the SMILES notation for distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))?
The canonical SMILES for distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)) is [Fe+3].[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ti+4].[Ti+4].
What is the InChIKey of distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))?
The InChIKey is UZJUXXWNXVHINY-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.9O.2Sr.2Ti/q2*+3;9*-2;2*+2;2*+4.
What are the key properties of distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+))?
distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)) has a molecular weight of 526.66 g/mol, XLogP of -1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for distrontium;bis(iron(3+));nonakis(oxygen(2-));bis(titanium(4+)) is sourced from PubChem (CID 173052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).