dizinc;vanadium;triphosphate

O12P3VZn2-5 — CID 173037971

IUPACdizinc;vanadium;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zn+2].[Zn+2]
InChIInChI=1S/3H3O4P.V.2Zn/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);;;/q;;;;2*+2/p-9
InChIKeyUJGKEJHMUARPAY-UHFFFAOYSA-E
MW466.63 g/mol
LogP-8.48
Rot. Bonds

About dizinc;vanadium;triphosphate

dizinc;vanadium;triphosphate (PubChem CID 173037971) has the molecular formula O12P3VZn2-5 and a molecular weight of 466.63 g/mol. Its IUPAC name is dizinc;vanadium;triphosphate.

Molecular Properties

Compound Namedizinc;vanadium;triphosphate
PubChem CID173037971
Molecular FormulaO12P3VZn2-5
Molecular Weight466.63 g/mol
Exact Mass463.67
IUPAC Namedizinc;vanadium;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zn+2].[Zn+2]
InChIInChI=1S/3H3O4P.V.2Zn/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);;;/q;;;;2*+2/p-9
InChIKeyUJGKEJHMUARPAY-UHFFFAOYSA-E
XLogP-8.48
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 5-8.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

molybdenum;tris(vanadium);undecaphosphate
CID 18374020
iron(2+);vanadium;phosphate
CID 161404420
zinc;indium(3+);phosphate
CID 159690150
zinc;niobium(5+);phosphate
CID 158075455
oxygen(2-);vanadium;phosphate
CID 10313253
zinc;hydron;diphosphate
CID 20841752
dipotassium;zinc;diphosphate
CID 11970412
potassium;vanadium;diphosphate;hydrofluoride
CID 174909509
silver;zinc;zirconium;phosphate
CID 175352769
calcium;manganese(2+);vanadium;triphosphate
CID 174881340
copper;zinc;cadmium(2+);diphosphate
CID 159305058
vanadium;zirconium(4+);triphosphate;hydrofluoride
CID 159179895

Frequently Asked Questions

What is the IUPAC name of dizinc;vanadium;triphosphate?
The IUPAC name of dizinc;vanadium;triphosphate (CID 173037971) is dizinc;vanadium;triphosphate.
What is the SMILES notation for dizinc;vanadium;triphosphate?
The canonical SMILES for dizinc;vanadium;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[V].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;vanadium;triphosphate?
The InChIKey is UJGKEJHMUARPAY-UHFFFAOYSA-E. The full InChI is InChI=1S/3H3O4P.V.2Zn/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);;;/q;;;;2*+2/p-9.
What are the key properties of dizinc;vanadium;triphosphate?
dizinc;vanadium;triphosphate has a molecular weight of 466.63 g/mol, XLogP of -8.48, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;vanadium;triphosphate is sourced from PubChem (CID 173037971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).