barium(2+);hydron;phosphate

HBaO4P — CID 173013414

IUPACbarium(2+);hydron;phosphate
SMILESO=P([O-])([O-])[O-].[Ba+2].[H+]
InChIInChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
InChIKeyLYSTYSFIGYAXTG-UHFFFAOYSA-L
MW233.31 g/mol
LogP-3.09
Rot. Bonds

About barium(2+);hydron;phosphate

barium(2+);hydron;phosphate (PubChem CID 173013414) has the molecular formula HBaO4P and a molecular weight of 233.31 g/mol. Its IUPAC name is barium(2+);hydron;phosphate.

Molecular Properties

Compound Namebarium(2+);hydron;phosphate
PubChem CID173013414
Molecular FormulaHBaO4P
Molecular Weight233.31 g/mol
Exact Mass233.87
IUPAC Namebarium(2+);hydron;phosphate
SMILESO=P([O-])([O-])[O-].[Ba+2].[H+]
InChIInChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
InChIKeyLYSTYSFIGYAXTG-UHFFFAOYSA-L
XLogP-3.09
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-3.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze barium(2+);hydron;phosphate 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

hydron;phosphate
CID 19972274
hydron;iron(3+);phosphate
CID 173036063
hydron;zirconium;phosphate
CID 173215944
bis(barium(2+));niobium(5+);triphosphate
CID 173131360
zinc;hydron;diphosphate
CID 20841752
azane;hydron;phosphate
CID 173322696
dipotassium;trisodium;hydron;triphosphate
CID 173105953
disodium;barium(2+);bis(zirconium(4+));tetraphosphate
CID 173296087
potassium;azane;hydron;phosphate
CID 173310600
azane;hydron;titanium(4+);phosphate
CID 173494931
molybdenum diphosphate
CID 22395595
octadecaazanium;hexaphosphate
CID 158249396

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydron;phosphate?
The IUPAC name of barium(2+);hydron;phosphate (CID 173013414) is barium(2+);hydron;phosphate.
What is the SMILES notation for barium(2+);hydron;phosphate?
The canonical SMILES for barium(2+);hydron;phosphate is O=P([O-])([O-])[O-].[Ba+2].[H+].
What is the InChIKey of barium(2+);hydron;phosphate?
The InChIKey is LYSTYSFIGYAXTG-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2.
What are the key properties of barium(2+);hydron;phosphate?
barium(2+);hydron;phosphate has a molecular weight of 233.31 g/mol, XLogP of -3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydron;phosphate is sourced from PubChem (CID 173013414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).