lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate

CoFeLiMnNiO12P3 — CID 161020848

IUPAClithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Li+].[Mn+2].[Ni+2]
InChIInChI=1S/Co.Fe.Li.Mn.Ni.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q2*+2;+1;2*+2;;;/p-9
InChIKeyTYIQHQFQWOZFMP-UHFFFAOYSA-E
MW520.26 g/mol
LogP-11.48
Rot. Bonds

About lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate

lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate (PubChem CID 161020848) has the molecular formula CoFeLiMnNiO12P3 and a molecular weight of 520.26 g/mol. Its IUPAC name is lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate.

Molecular Properties

Compound Namelithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
PubChem CID161020848
Molecular FormulaCoFeLiMnNiO12P3
Molecular Weight520.26 g/mol
Exact Mass519.62
IUPAC Namelithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Li+].[Mn+2].[Ni+2]
InChIInChI=1S/Co.Fe.Li.Mn.Ni.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q2*+2;+1;2*+2;;;/p-9
InChIKeyTYIQHQFQWOZFMP-UHFFFAOYSA-E
XLogP-11.48
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.26
LogP ≤ 5-11.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
CID 175542462
tris(cobalt(2+));tris(nickel(2+));tetraphosphate
CID 19845457
dilithium;bis(iron(2+));diphosphate
CID 157234237
azane;iron(2+);manganese(2+);phosphate
CID 172802270
lithium;iron(2+);zirconium(4+);phosphate
CID 175737318
bis(manganese(2+)) diphosphate
CID 21124543
bis(nickel(2+));hydroxide;phosphate
CID 11665794
calcium;iron(2+);manganese(2+);diphosphate;hydrate
CID 173186000
calcium;sodium;iron(2+);manganese(2+);phosphate
CID 22287648
trilithium;iron(3+);diphosphate
CID 102600810
dimagnesium;hydroxide;phosphate
CID 157147932
iron(2+);vanadium;phosphate
CID 161404420

Frequently Asked Questions

What is the IUPAC name of lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate?
The IUPAC name of lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate (CID 161020848) is lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate.
What is the SMILES notation for lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate?
The canonical SMILES for lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Li+].[Mn+2].[Ni+2].
What is the InChIKey of lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate?
The InChIKey is TYIQHQFQWOZFMP-UHFFFAOYSA-E. The full InChI is InChI=1S/Co.Fe.Li.Mn.Ni.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q2*+2;+1;2*+2;;;/p-9.
What are the key properties of lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate?
lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate has a molecular weight of 520.26 g/mol, XLogP of -11.48, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate is sourced from PubChem (CID 161020848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).