tris(niobium(5+));pentaphosphate

Nb3O20P5 — CID 10147091

IUPACtris(niobium(5+));pentaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Nb.5H3O4P/c;;;5*1-5(2,3)4/h;;;5*(H3,1,2,3,4)/q3*+5;;;;;/p-15
InChIKeyCNHRNMLCYGFITG-UHFFFAOYSA-A
MW753.57 g/mol
LogP-14.13
Rot. Bonds

About tris(niobium(5+));pentaphosphate

tris(niobium(5+));pentaphosphate (PubChem CID 10147091) has the molecular formula Nb3O20P5 and a molecular weight of 753.57 g/mol. Its IUPAC name is tris(niobium(5+));pentaphosphate.

Molecular Properties

Compound Nametris(niobium(5+));pentaphosphate
PubChem CID10147091
Molecular FormulaNb3O20P5
Molecular Weight753.57 g/mol
Exact Mass753.49
IUPAC Nametris(niobium(5+));pentaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Nb.5H3O4P/c;;;5*1-5(2,3)4/h;;;5*(H3,1,2,3,4)/q3*+5;;;;;/p-15
InChIKeyCNHRNMLCYGFITG-UHFFFAOYSA-A
XLogP-14.13
TPSA431.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.57
LogP ≤ 5-14.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(niobium(5+));pentaphosphate?
The IUPAC name of tris(niobium(5+));pentaphosphate (CID 10147091) is tris(niobium(5+));pentaphosphate.
What is the SMILES notation for tris(niobium(5+));pentaphosphate?
The canonical SMILES for tris(niobium(5+));pentaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of tris(niobium(5+));pentaphosphate?
The InChIKey is CNHRNMLCYGFITG-UHFFFAOYSA-A. The full InChI is InChI=1S/3Nb.5H3O4P/c;;;5*1-5(2,3)4/h;;;5*(H3,1,2,3,4)/q3*+5;;;;;/p-15.
What are the key properties of tris(niobium(5+));pentaphosphate?
tris(niobium(5+));pentaphosphate has a molecular weight of 753.57 g/mol, XLogP of -14.13, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(niobium(5+));pentaphosphate is sourced from PubChem (CID 10147091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).