vanadium;zirconium(4+);triphosphate;hydrofluoride

HFO12P3VZr-5 — CID 159179895

IUPACvanadium;zirconium(4+);triphosphate;hydrofluoride
SMILESF.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zr+4]
InChIInChI=1S/FH.3H3O4P.V.Zr/c;3*1-5(2,3)4;;/h1H;3*(H3,1,2,3,4);;/q;;;;;+4/p-9
InChIKeyZJYMOQCGRPACBV-UHFFFAOYSA-E
MW447.08 g/mol
LogP-8.33
Rot. Bonds

About vanadium;zirconium(4+);triphosphate;hydrofluoride

vanadium;zirconium(4+);triphosphate;hydrofluoride (PubChem CID 159179895) has the molecular formula HFO12P3VZr-5 and a molecular weight of 447.08 g/mol. Its IUPAC name is vanadium;zirconium(4+);triphosphate;hydrofluoride.

Molecular Properties

Compound Namevanadium;zirconium(4+);triphosphate;hydrofluoride
PubChem CID159179895
Molecular FormulaHFO12P3VZr-5
Molecular Weight447.08 g/mol
Exact Mass445.72
IUPAC Namevanadium;zirconium(4+);triphosphate;hydrofluoride
SMILESF.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zr+4]
InChIInChI=1S/FH.3H3O4P.V.Zr/c;3*1-5(2,3)4;;/h1H;3*(H3,1,2,3,4);;/q;;;;;+4/p-9
InChIKeyZJYMOQCGRPACBV-UHFFFAOYSA-E
XLogP-8.33
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.08
LogP ≤ 5-8.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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calcium;manganese(2+);vanadium;triphosphate
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disodium;barium(2+);bis(zirconium(4+));tetraphosphate
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Frequently Asked Questions

What is the IUPAC name of vanadium;zirconium(4+);triphosphate;hydrofluoride?
The IUPAC name of vanadium;zirconium(4+);triphosphate;hydrofluoride (CID 159179895) is vanadium;zirconium(4+);triphosphate;hydrofluoride.
What is the SMILES notation for vanadium;zirconium(4+);triphosphate;hydrofluoride?
The canonical SMILES for vanadium;zirconium(4+);triphosphate;hydrofluoride is F.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zr+4].
What is the InChIKey of vanadium;zirconium(4+);triphosphate;hydrofluoride?
The InChIKey is ZJYMOQCGRPACBV-UHFFFAOYSA-E. The full InChI is InChI=1S/FH.3H3O4P.V.Zr/c;3*1-5(2,3)4;;/h1H;3*(H3,1,2,3,4);;/q;;;;;+4/p-9.
What are the key properties of vanadium;zirconium(4+);triphosphate;hydrofluoride?
vanadium;zirconium(4+);triphosphate;hydrofluoride has a molecular weight of 447.08 g/mol, XLogP of -8.33, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for vanadium;zirconium(4+);triphosphate;hydrofluoride is sourced from PubChem (CID 159179895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).