lithium;iron(2+);zirconium(4+);phosphate

FeLiO4PZr+4 — CID 175737318

IUPAClithium;iron(2+);zirconium(4+);phosphate
SMILESO=P([O-])([O-])[O-].[Fe+2].[Li+].[Zr+4]
InChIInChI=1S/Fe.Li.H3O4P.Zr/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);/q+2;+1;;+4/p-3
InChIKeyJHRSRWRDRVBHKM-UHFFFAOYSA-K
MW248.98 g/mol
LogP-5.83
Rot. Bonds

About lithium;iron(2+);zirconium(4+);phosphate

lithium;iron(2+);zirconium(4+);phosphate (PubChem CID 175737318) has the molecular formula FeLiO4PZr+4 and a molecular weight of 248.98 g/mol. Its IUPAC name is lithium;iron(2+);zirconium(4+);phosphate.

Molecular Properties

Compound Namelithium;iron(2+);zirconium(4+);phosphate
PubChem CID175737318
Molecular FormulaFeLiO4PZr+4
Molecular Weight248.98 g/mol
Exact Mass247.81
IUPAC Namelithium;iron(2+);zirconium(4+);phosphate
SMILESO=P([O-])([O-])[O-].[Fe+2].[Li+].[Zr+4]
InChIInChI=1S/Fe.Li.H3O4P.Zr/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);/q+2;+1;;+4/p-3
InChIKeyJHRSRWRDRVBHKM-UHFFFAOYSA-K
XLogP-5.83
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.98
LogP ≤ 5-5.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dilithium;bis(iron(2+));diphosphate
CID 157234237
zirconium(4+) phosphate
CID 21124562
lithium;hafnium(4+);phosphate
CID 21452102
aluminum;iron(2+);phosphate
CID 18314842
iron(2+);vanadium;phosphate
CID 161404420
trilithium;iron(3+);diphosphate
CID 102600810
lithium;germanium(4+);phosphate
CID 91868528
tris(iron(2+));diphosphate;dihydrate
CID 162235567
CID 170997253
CID 170997253
tricalcium;zirconium(4+);phosphate
CID 172787637
lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
CID 161020848
cerium(3+);zirconium(4+);phosphate;hydrofluoride
CID 157050439

Frequently Asked Questions

What is the IUPAC name of lithium;iron(2+);zirconium(4+);phosphate?
The IUPAC name of lithium;iron(2+);zirconium(4+);phosphate (CID 175737318) is lithium;iron(2+);zirconium(4+);phosphate.
What is the SMILES notation for lithium;iron(2+);zirconium(4+);phosphate?
The canonical SMILES for lithium;iron(2+);zirconium(4+);phosphate is O=P([O-])([O-])[O-].[Fe+2].[Li+].[Zr+4].
What is the InChIKey of lithium;iron(2+);zirconium(4+);phosphate?
The InChIKey is JHRSRWRDRVBHKM-UHFFFAOYSA-K. The full InChI is InChI=1S/Fe.Li.H3O4P.Zr/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);/q+2;+1;;+4/p-3.
What are the key properties of lithium;iron(2+);zirconium(4+);phosphate?
lithium;iron(2+);zirconium(4+);phosphate has a molecular weight of 248.98 g/mol, XLogP of -5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;iron(2+);zirconium(4+);phosphate is sourced from PubChem (CID 175737318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).