zirconium(4+) phosphate

O4PZr+ — CID 21124562

IUPACzirconium(4+) phosphate
SMILESO=P([O-])([O-])[O-].[Zr+4]
InChIInChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-3
InChIKeyICSCFNQFBKIYON-UHFFFAOYSA-K
MW186.19 g/mol
LogP-2.83
Rot. Bonds

About zirconium(4+) phosphate

zirconium(4+) phosphate (PubChem CID 21124562) has the molecular formula O4PZr+ and a molecular weight of 186.19 g/mol. Its IUPAC name is zirconium(4+) phosphate.

Molecular Properties

Compound Namezirconium(4+) phosphate
PubChem CID21124562
Molecular FormulaO4PZr+
Molecular Weight186.19 g/mol
Exact Mass184.86
IUPAC Namezirconium(4+) phosphate
SMILESO=P([O-])([O-])[O-].[Zr+4]
InChIInChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-3
InChIKeyICSCFNQFBKIYON-UHFFFAOYSA-K
XLogP-2.83
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;zirconium(4+);phosphate
CID 172787637
lithium;iron(2+);zirconium(4+);phosphate
CID 175737318
cerium(3+);zirconium(4+);phosphate;hydrofluoride
CID 157050439
disodium;barium(2+);bis(zirconium(4+));tetraphosphate
CID 173296087
vanadium;zirconium(4+);triphosphate;hydrofluoride
CID 159179895
trialuminum;triphosphate
CID 23371115
bis(gadolinium(3+)) diphosphate
CID 172754975
CID 23618823
CID 23618823
methane phosphate
CID 22352647
dipotassium diphosphate
CID 18612384
hydron;phosphate
CID 19972274
zinc phosphate
CID 131721340

Frequently Asked Questions

What is the IUPAC name of zirconium(4+) phosphate?
The IUPAC name of zirconium(4+) phosphate (CID 21124562) is zirconium(4+) phosphate.
What is the SMILES notation for zirconium(4+) phosphate?
The canonical SMILES for zirconium(4+) phosphate is O=P([O-])([O-])[O-].[Zr+4].
What is the InChIKey of zirconium(4+) phosphate?
The InChIKey is ICSCFNQFBKIYON-UHFFFAOYSA-K. The full InChI is InChI=1S/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-3.
What are the key properties of zirconium(4+) phosphate?
zirconium(4+) phosphate has a molecular weight of 186.19 g/mol, XLogP of -2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium(4+) phosphate is sourced from PubChem (CID 21124562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).