zirconium(3+);phosphate;hydrate

H2O5PZr — CID 173357752

IUPACzirconium(3+);phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Zr+3]
InChIInChI=1S/H3O4P.H2O.Zr/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;/q;;+3/p-3
InChIKeyTVTVEGRNNWUHTH-UHFFFAOYSA-K
MW204.21 g/mol
LogP-3.65
Rot. Bonds

About zirconium(3+);phosphate;hydrate

zirconium(3+);phosphate;hydrate (PubChem CID 173357752) has the molecular formula H2O5PZr and a molecular weight of 204.21 g/mol. Its IUPAC name is zirconium(3+);phosphate;hydrate.

Molecular Properties

Compound Namezirconium(3+);phosphate;hydrate
PubChem CID173357752
Molecular FormulaH2O5PZr
Molecular Weight204.21 g/mol
Exact Mass202.87
IUPAC Namezirconium(3+);phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Zr+3]
InChIInChI=1S/H3O4P.H2O.Zr/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;/q;;+3/p-3
InChIKeyTVTVEGRNNWUHTH-UHFFFAOYSA-K
XLogP-3.65
TPSA117.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zirconium(3+);phosphate;hydrate?
The IUPAC name of zirconium(3+);phosphate;hydrate (CID 173357752) is zirconium(3+);phosphate;hydrate.
What is the SMILES notation for zirconium(3+);phosphate;hydrate?
The canonical SMILES for zirconium(3+);phosphate;hydrate is O.O=P([O-])([O-])[O-].[Zr+3].
What is the InChIKey of zirconium(3+);phosphate;hydrate?
The InChIKey is TVTVEGRNNWUHTH-UHFFFAOYSA-K. The full InChI is InChI=1S/H3O4P.H2O.Zr/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;/q;;+3/p-3.
What are the key properties of zirconium(3+);phosphate;hydrate?
zirconium(3+);phosphate;hydrate has a molecular weight of 204.21 g/mol, XLogP of -3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium(3+);phosphate;hydrate is sourced from PubChem (CID 173357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).