tris(cobalt(2+));tris(nickel(2+));tetraphosphate

Co3Ni3O16P4 — CID 19845457

IUPACtris(cobalt(2+));tris(nickel(2+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Co+2].[Co+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/3Co.3Ni.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+2;;;;/p-12
InChIKeyIZFJULVBZYKIMD-UHFFFAOYSA-B
MW732.76 g/mol
LogP-11.31
Rot. Bonds

About tris(cobalt(2+));tris(nickel(2+));tetraphosphate

tris(cobalt(2+));tris(nickel(2+));tetraphosphate (PubChem CID 19845457) has the molecular formula Co3Ni3O16P4 and a molecular weight of 732.76 g/mol. Its IUPAC name is tris(cobalt(2+));tris(nickel(2+));tetraphosphate.

Molecular Properties

Compound Nametris(cobalt(2+));tris(nickel(2+));tetraphosphate
PubChem CID19845457
Molecular FormulaCo3Ni3O16P4
Molecular Weight732.76 g/mol
Exact Mass730.42
IUPAC Nametris(cobalt(2+));tris(nickel(2+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Co+2].[Co+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/3Co.3Ni.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+2;;;;/p-12
InChIKeyIZFJULVBZYKIMD-UHFFFAOYSA-B
XLogP-11.31
TPSA345.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.76
LogP ≤ 5-11.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

bis(nickel(2+));hydroxide;phosphate
CID 11665794
dimagnesium;hydroxide;phosphate
CID 157147932
silver;cobalt(2+);phosphate
CID 161432464
lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
CID 161020848
oxotungsten;hydroxide;phosphate
CID 25076646
iron(4+);hydroxide;phosphate;hydrate
CID 173185954
aluminum;sodium;hydroxide;phosphate
CID 22287658
zinc phosphate
CID 131721340
sodium phosphate
CID 21225609
hydron;phosphate
CID 19972274
dipotassium diphosphate
CID 18612384
CID 23618830
CID 23618830

Frequently Asked Questions

What is the IUPAC name of tris(cobalt(2+));tris(nickel(2+));tetraphosphate?
The IUPAC name of tris(cobalt(2+));tris(nickel(2+));tetraphosphate (CID 19845457) is tris(cobalt(2+));tris(nickel(2+));tetraphosphate.
What is the SMILES notation for tris(cobalt(2+));tris(nickel(2+));tetraphosphate?
The canonical SMILES for tris(cobalt(2+));tris(nickel(2+));tetraphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Co+2].[Co+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of tris(cobalt(2+));tris(nickel(2+));tetraphosphate?
The InChIKey is IZFJULVBZYKIMD-UHFFFAOYSA-B. The full InChI is InChI=1S/3Co.3Ni.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+2;;;;/p-12.
What are the key properties of tris(cobalt(2+));tris(nickel(2+));tetraphosphate?
tris(cobalt(2+));tris(nickel(2+));tetraphosphate has a molecular weight of 732.76 g/mol, XLogP of -11.31, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cobalt(2+));tris(nickel(2+));tetraphosphate is sourced from PubChem (CID 19845457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).