iron(2+);vanadium;phosphate

FeO4PV- — CID 161404420

IUPACiron(2+);vanadium;phosphate
SMILESO=P([O-])([O-])[O-].[Fe+2].[V]
InChIInChI=1S/Fe.H3O4P.V/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;/p-3
InChIKeySZRVWPRESLEIMH-UHFFFAOYSA-K
MW201.76 g/mol
LogP-2.83
Rot. Bonds

About iron(2+);vanadium;phosphate

iron(2+);vanadium;phosphate (PubChem CID 161404420) has the molecular formula FeO4PV- and a molecular weight of 201.76 g/mol. Its IUPAC name is iron(2+);vanadium;phosphate.

Molecular Properties

Compound Nameiron(2+);vanadium;phosphate
PubChem CID161404420
Molecular FormulaFeO4PV-
Molecular Weight201.76 g/mol
Exact Mass201.83
IUPAC Nameiron(2+);vanadium;phosphate
SMILESO=P([O-])([O-])[O-].[Fe+2].[V]
InChIInChI=1S/Fe.H3O4P.V/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;/p-3
InChIKeySZRVWPRESLEIMH-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 ≤ 500201.76
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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Frequently Asked Questions

What is the IUPAC name of iron(2+);vanadium;phosphate?
The IUPAC name of iron(2+);vanadium;phosphate (CID 161404420) is iron(2+);vanadium;phosphate.
What is the SMILES notation for iron(2+);vanadium;phosphate?
The canonical SMILES for iron(2+);vanadium;phosphate is O=P([O-])([O-])[O-].[Fe+2].[V].
What is the InChIKey of iron(2+);vanadium;phosphate?
The InChIKey is SZRVWPRESLEIMH-UHFFFAOYSA-K. The full InChI is InChI=1S/Fe.H3O4P.V/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;/p-3.
What are the key properties of iron(2+);vanadium;phosphate?
iron(2+);vanadium;phosphate has a molecular weight of 201.76 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 iron(2+);vanadium;phosphate is sourced from PubChem (CID 161404420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).