zinc;niobium(5+);phosphate

NbO4PZn+4 — CID 158075455

IUPACzinc;niobium(5+);phosphate
SMILESO=P([O-])([O-])[O-].[Nb+5].[Zn+2]
InChIInChI=1S/Nb.H3O4P.Zn/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+5;;+2/p-3
InChIKeyFMHTVTTZWROAFS-UHFFFAOYSA-K
MW253.27 g/mol
LogP-2.83
Rot. Bonds

About zinc;niobium(5+);phosphate

zinc;niobium(5+);phosphate (PubChem CID 158075455) has the molecular formula NbO4PZn+4 and a molecular weight of 253.27 g/mol. Its IUPAC name is zinc;niobium(5+);phosphate.

Molecular Properties

Compound Namezinc;niobium(5+);phosphate
PubChem CID158075455
Molecular FormulaNbO4PZn+4
Molecular Weight253.27 g/mol
Exact Mass251.79
IUPAC Namezinc;niobium(5+);phosphate
SMILESO=P([O-])([O-])[O-].[Nb+5].[Zn+2]
InChIInChI=1S/Nb.H3O4P.Zn/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+5;;+2/p-3
InChIKeyFMHTVTTZWROAFS-UHFFFAOYSA-K
XLogP-2.83
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;indium(3+);phosphate
CID 159690150
bis(barium(2+));niobium(5+);triphosphate
CID 173131360
dizinc;vanadium;triphosphate
CID 173037971
zinc;hydron;diphosphate
CID 20841752
dipotassium;zinc;diphosphate
CID 11970412
silver;zinc;zirconium;phosphate
CID 175352769
copper;zinc;cadmium(2+);diphosphate
CID 159305058
cobalt;phosphate
CID 175272308
bis(gadolinium(3+)) diphosphate
CID 172754975
trialuminum;triphosphate
CID 23371115
CID 23618830
CID 23618830
dipotassium diphosphate
CID 18612384

Frequently Asked Questions

What is the IUPAC name of zinc;niobium(5+);phosphate?
The IUPAC name of zinc;niobium(5+);phosphate (CID 158075455) is zinc;niobium(5+);phosphate.
What is the SMILES notation for zinc;niobium(5+);phosphate?
The canonical SMILES for zinc;niobium(5+);phosphate is O=P([O-])([O-])[O-].[Nb+5].[Zn+2].
What is the InChIKey of zinc;niobium(5+);phosphate?
The InChIKey is FMHTVTTZWROAFS-UHFFFAOYSA-K. The full InChI is InChI=1S/Nb.H3O4P.Zn/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+5;;+2/p-3.
What are the key properties of zinc;niobium(5+);phosphate?
zinc;niobium(5+);phosphate has a molecular weight of 253.27 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 zinc;niobium(5+);phosphate is sourced from PubChem (CID 158075455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).