tris(niobium(5+));pentaphosphate;hydrate

H2Nb3O21P5 — CID 158492143

IUPACtris(niobium(5+));pentaphosphate;hydrate
SMILESO.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]
InChIInChI=1S/3Nb.5H3O4P.H2O/c;;;5*1-5(2,3)4;/h;;;5*(H3,1,2,3,4);1H2/q3*+5;;;;;;/p-15
InChIKeyHIVFMSCPQIPPEB-UHFFFAOYSA-A
MW771.58 g/mol
LogP-14.96
Rot. Bonds

About tris(niobium(5+));pentaphosphate;hydrate

tris(niobium(5+));pentaphosphate;hydrate (PubChem CID 158492143) has the molecular formula H2Nb3O21P5 and a molecular weight of 771.58 g/mol. Its IUPAC name is tris(niobium(5+));pentaphosphate;hydrate.

Molecular Properties

Compound Nametris(niobium(5+));pentaphosphate;hydrate
PubChem CID158492143
Molecular FormulaH2Nb3O21P5
Molecular Weight771.58 g/mol
Exact Mass771.50
IUPAC Nametris(niobium(5+));pentaphosphate;hydrate
SMILESO.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]
InChIInChI=1S/3Nb.5H3O4P.H2O/c;;;5*1-5(2,3)4;/h;;;5*(H3,1,2,3,4);1H2/q3*+5;;;;;;/p-15
InChIKeyHIVFMSCPQIPPEB-UHFFFAOYSA-A
XLogP-14.96
TPSA462.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.58
LogP ≤ 5-14.96
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;hydrate?
The IUPAC name of tris(niobium(5+));pentaphosphate;hydrate (CID 158492143) is tris(niobium(5+));pentaphosphate;hydrate.
What is the SMILES notation for tris(niobium(5+));pentaphosphate;hydrate?
The canonical SMILES for tris(niobium(5+));pentaphosphate;hydrate is O.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;hydrate?
The InChIKey is HIVFMSCPQIPPEB-UHFFFAOYSA-A. The full InChI is InChI=1S/3Nb.5H3O4P.H2O/c;;;5*1-5(2,3)4;/h;;;5*(H3,1,2,3,4);1H2/q3*+5;;;;;;/p-15.
What are the key properties of tris(niobium(5+));pentaphosphate;hydrate?
tris(niobium(5+));pentaphosphate;hydrate has a molecular weight of 771.58 g/mol, XLogP of -14.96, 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;hydrate is sourced from PubChem (CID 158492143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).