zirconium diphosphate

O8P2Zr-6 — CID 3014757

IUPACzirconium diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr]
InChIInChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/p-6
InChIKeyJTXXKLNSXNKCBI-UHFFFAOYSA-H
MW281.16 g/mol
LogP-5.65
Rot. Bonds

About zirconium diphosphate

zirconium diphosphate (PubChem CID 3014757) has the molecular formula O8P2Zr-6 and a molecular weight of 281.16 g/mol. Its IUPAC name is zirconium diphosphate.

Molecular Properties

Compound Namezirconium diphosphate
PubChem CID3014757
Molecular FormulaO8P2Zr-6
Molecular Weight281.16 g/mol
Exact Mass279.81
IUPAC Namezirconium diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr]
InChIInChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/p-6
InChIKeyJTXXKLNSXNKCBI-UHFFFAOYSA-H
XLogP-5.65
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 5-5.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hydron;zirconium;phosphate
CID 173215944
silver;zinc;zirconium;phosphate
CID 175352769
copper;sodium;zirconium;phosphate
CID 175582678
zirconium(4+) phosphate
CID 21124562
gadolinium phosphate
CID 6365243
methane phosphate
CID 22352647
CID 23618823
CID 23618823
hydron;phosphate
CID 19972274
zinc phosphate
CID 131721340
dipotassium diphosphate
CID 18612384
sodium phosphate
CID 21225609
CID 23618830
CID 23618830

Frequently Asked Questions

What is the IUPAC name of zirconium diphosphate?
The IUPAC name of zirconium diphosphate (CID 3014757) is zirconium diphosphate.
What is the SMILES notation for zirconium diphosphate?
The canonical SMILES for zirconium diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr].
What is the InChIKey of zirconium diphosphate?
The InChIKey is JTXXKLNSXNKCBI-UHFFFAOYSA-H. The full InChI is InChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/p-6.
What are the key properties of zirconium diphosphate?
zirconium diphosphate has a molecular weight of 281.16 g/mol, XLogP of -5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium diphosphate is sourced from PubChem (CID 3014757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).