dilithium;bis(iron(2+));diphosphate

Fe2Li2O8P2 — CID 157234237

IUPACdilithium;bis(iron(2+));diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Li+].[Li+]
InChIInChI=1S/2Fe.2Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q2*+2;2*+1;;/p-6
InChIKeyAULKGSAUVLLZLC-UHFFFAOYSA-H
MW315.51 g/mol
LogP-11.65
Rot. Bonds

About dilithium;bis(iron(2+));diphosphate

dilithium;bis(iron(2+));diphosphate (PubChem CID 157234237) has the molecular formula Fe2Li2O8P2 and a molecular weight of 315.51 g/mol. Its IUPAC name is dilithium;bis(iron(2+));diphosphate.

Molecular Properties

Compound Namedilithium;bis(iron(2+));diphosphate
PubChem CID157234237
Molecular FormulaFe2Li2O8P2
Molecular Weight315.51 g/mol
Exact Mass315.81
IUPAC Namedilithium;bis(iron(2+));diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Li+].[Li+]
InChIInChI=1S/2Fe.2Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q2*+2;2*+1;;/p-6
InChIKeyAULKGSAUVLLZLC-UHFFFAOYSA-H
XLogP-11.65
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 5-11.65
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

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Frequently Asked Questions

What is the IUPAC name of dilithium;bis(iron(2+));diphosphate?
The IUPAC name of dilithium;bis(iron(2+));diphosphate (CID 157234237) is dilithium;bis(iron(2+));diphosphate.
What is the SMILES notation for dilithium;bis(iron(2+));diphosphate?
The canonical SMILES for dilithium;bis(iron(2+));diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Li+].[Li+].
What is the InChIKey of dilithium;bis(iron(2+));diphosphate?
The InChIKey is AULKGSAUVLLZLC-UHFFFAOYSA-H. The full InChI is InChI=1S/2Fe.2Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q2*+2;2*+1;;/p-6.
What are the key properties of dilithium;bis(iron(2+));diphosphate?
dilithium;bis(iron(2+));diphosphate has a molecular weight of 315.51 g/mol, XLogP of -11.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(iron(2+));diphosphate is sourced from PubChem (CID 157234237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).