disodium;barium(2+);bis(zirconium(4+));tetraphosphate

BaNa2O16P4Zr2 — CID 173296087

IUPACdisodium;barium(2+);bis(zirconium(4+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ba+2].[Na+].[Na+].[Zr+4].[Zr+4]
InChIInChI=1S/Ba.2Na.4H3O4P.2Zr/c;;;4*1-5(2,3)4;;/h;;;4*(H3,1,2,3,4);;/q+2;2*+1;;;;;2*+4/p-12
InChIKeyGGKYXRUYOOMELE-UHFFFAOYSA-B
MW745.64 g/mol
LogP-17.68
Rot. Bonds

About disodium;barium(2+);bis(zirconium(4+));tetraphosphate

disodium;barium(2+);bis(zirconium(4+));tetraphosphate (PubChem CID 173296087) has the molecular formula BaNa2O16P4Zr2 and a molecular weight of 745.64 g/mol. Its IUPAC name is disodium;barium(2+);bis(zirconium(4+));tetraphosphate.

Molecular Properties

Compound Namedisodium;barium(2+);bis(zirconium(4+));tetraphosphate
PubChem CID173296087
Molecular FormulaBaNa2O16P4Zr2
Molecular Weight745.64 g/mol
Exact Mass743.51
IUPAC Namedisodium;barium(2+);bis(zirconium(4+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ba+2].[Na+].[Na+].[Zr+4].[Zr+4]
InChIInChI=1S/Ba.2Na.4H3O4P.2Zr/c;;;4*1-5(2,3)4;;/h;;;4*(H3,1,2,3,4);;/q+2;2*+1;;;;;2*+4/p-12
InChIKeyGGKYXRUYOOMELE-UHFFFAOYSA-B
XLogP-17.68
TPSA345.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.64
LogP ≤ 5-17.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze disodium;barium(2+);bis(zirconium(4+));tetraphosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium phosphate
CID 21225609
zirconium(4+) phosphate
CID 21124562
heptasodium;phosphate
CID 159686031
trisodium;phosphate;dodecahydrate
CID 516998
sodium;tin(4+);phosphate
CID 160930212
azanium;sodium;phosphate
CID 22506365
bis(barium(2+));niobium(5+);triphosphate
CID 173131360
tetrapotassium;sodium;phosphate
CID 172696103
barium(2+);hydron;phosphate
CID 173013414
nonacalcium;trisodium;heptaphosphate
CID 173013514
trisodium;phosphate;pentahydrate
CID 19993446
dipotassium;disodium;phosphate
CID 160926550

Frequently Asked Questions

What is the IUPAC name of disodium;barium(2+);bis(zirconium(4+));tetraphosphate?
The IUPAC name of disodium;barium(2+);bis(zirconium(4+));tetraphosphate (CID 173296087) is disodium;barium(2+);bis(zirconium(4+));tetraphosphate.
What is the SMILES notation for disodium;barium(2+);bis(zirconium(4+));tetraphosphate?
The canonical SMILES for disodium;barium(2+);bis(zirconium(4+));tetraphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ba+2].[Na+].[Na+].[Zr+4].[Zr+4].
What is the InChIKey of disodium;barium(2+);bis(zirconium(4+));tetraphosphate?
The InChIKey is GGKYXRUYOOMELE-UHFFFAOYSA-B. The full InChI is InChI=1S/Ba.2Na.4H3O4P.2Zr/c;;;4*1-5(2,3)4;;/h;;;4*(H3,1,2,3,4);;/q+2;2*+1;;;;;2*+4/p-12.
What are the key properties of disodium;barium(2+);bis(zirconium(4+));tetraphosphate?
disodium;barium(2+);bis(zirconium(4+));tetraphosphate has a molecular weight of 745.64 g/mol, XLogP of -17.68, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;barium(2+);bis(zirconium(4+));tetraphosphate is sourced from PubChem (CID 173296087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).