CID 173065619

BFeLi3O8P2 — CID 173065619

IUPAC—
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[B].[Fe+3].[Li+].[Li+].[Li+]
InChIInChI=1S/B.Fe.3Li.2H3O4P/c;;;;;2*1-5(2,3)4/h;;;;;2*(H3,1,2,3,4)/q;+3;3*+1;;/p-6
InChIKeyAWIGCLDRHDJEBF-UHFFFAOYSA-H
MW277.42 g/mol
LogP-15.02
Rot. Bonds

About CID 173065619

CID 173065619 (PubChem CID 173065619) has the molecular formula BFeLi3O8P2 and a molecular weight of 277.42 g/mol.

Molecular Properties

Compound NameCID 173065619
PubChem CID173065619
Molecular FormulaBFeLi3O8P2
Molecular Weight277.42 g/mol
Exact Mass277.90
IUPAC Name—
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[B].[Fe+3].[Li+].[Li+].[Li+]
InChIInChI=1S/B.Fe.3Li.2H3O4P/c;;;;;2*1-5(2,3)4/h;;;;;2*(H3,1,2,3,4)/q;+3;3*+1;;/p-6
InChIKeyAWIGCLDRHDJEBF-UHFFFAOYSA-H
XLogP-15.02
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 5-15.02
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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dilithium;bis(iron(2+));diphosphate
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trimagnesium;iron(3+);triphosphate
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Frequently Asked Questions

What is the IUPAC name of CID 173065619?
The IUPAC name of CID 173065619 (CID 173065619) is not available.
What is the SMILES notation for CID 173065619?
The canonical SMILES for CID 173065619 is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[B].[Fe+3].[Li+].[Li+].[Li+].
What is the InChIKey of CID 173065619?
The InChIKey is AWIGCLDRHDJEBF-UHFFFAOYSA-H. The full InChI is InChI=1S/B.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 CID 173065619?
CID 173065619 has a molecular weight of 277.42 g/mol, XLogP of -15.02, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173065619 is sourced from PubChem (CID 173065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).