trilithium;iron(3+);diphosphate

FeLi3O8P2 — CID 102600810

IUPACtrilithium;iron(3+);diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Li+].[Li+].[Li+]
InChIInChI=1S/Fe.3Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyLKTYMQXNQCSGEG-UHFFFAOYSA-H
MW266.61 g/mol
LogP-14.64
Rot. Bonds

About trilithium;iron(3+);diphosphate

trilithium;iron(3+);diphosphate (PubChem CID 102600810) has the molecular formula FeLi3O8P2 and a molecular weight of 266.61 g/mol. Its IUPAC name is trilithium;iron(3+);diphosphate.

Molecular Properties

Compound Nametrilithium;iron(3+);diphosphate
PubChem CID102600810
Molecular FormulaFeLi3O8P2
Molecular Weight266.61 g/mol
Exact Mass266.89
IUPAC Nametrilithium;iron(3+);diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Li+].[Li+].[Li+]
InChIInChI=1S/Fe.3Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyLKTYMQXNQCSGEG-UHFFFAOYSA-H
XLogP-14.64
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 5-14.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 173065619
CID 173065619
lithium;hafnium(4+);phosphate
CID 21452102
lithium;germanium(4+);phosphate
CID 91868528
hydron;iron(3+);phosphate
CID 173036063
iron(3+);methane;phosphate
CID 88850558
CID 158150177
CID 158150177
dilithium;bis(iron(2+));diphosphate
CID 157234237
CID 170997253
CID 170997253
trimagnesium;iron(3+);triphosphate
CID 173343441
trilithium;ethene;phosphate
CID 172694198
dialuminum;lithium;titanium(4+);phosphate
CID 157281489
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694

Frequently Asked Questions

What is the IUPAC name of trilithium;iron(3+);diphosphate?
The IUPAC name of trilithium;iron(3+);diphosphate (CID 102600810) is trilithium;iron(3+);diphosphate.
What is the SMILES notation for trilithium;iron(3+);diphosphate?
The canonical SMILES for trilithium;iron(3+);diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;iron(3+);diphosphate?
The InChIKey is LKTYMQXNQCSGEG-UHFFFAOYSA-H. The full InChI is InChI=1S/Fe.3Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6.
What are the key properties of trilithium;iron(3+);diphosphate?
trilithium;iron(3+);diphosphate has a molecular weight of 266.61 g/mol, XLogP of -14.64, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;iron(3+);diphosphate is sourced from PubChem (CID 102600810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).