barium(2+);hydride;phosphoric acid;yttrium;zirconium

H5BaO4PYZr — CID 173258747

IUPACbarium(2+);hydride;phosphoric acid;yttrium;zirconium
SMILESO=P(O)(O)O.[Ba+2].[H-].[H-].[Y].[Zr]
InChIInChI=1S/Ba.H3O4P.Y.Zr.2H/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);;;;/q+2;;;;2*-1
InChIKeyQJTVBFOUPHZUEK-UHFFFAOYSA-N
MW417.47 g/mol
LogP-1.09
Rot. Bonds

About barium(2+);hydride;phosphoric acid;yttrium;zirconium

barium(2+);hydride;phosphoric acid;yttrium;zirconium (PubChem CID 173258747) has the molecular formula H5BaO4PYZr and a molecular weight of 417.47 g/mol. Its IUPAC name is barium(2+);hydride;phosphoric acid;yttrium;zirconium.

Molecular Properties

Compound Namebarium(2+);hydride;phosphoric acid;yttrium;zirconium
PubChem CID173258747
Molecular FormulaH5BaO4PYZr
Molecular Weight417.47 g/mol
Exact Mass416.71
IUPAC Namebarium(2+);hydride;phosphoric acid;yttrium;zirconium
SMILESO=P(O)(O)O.[Ba+2].[H-].[H-].[Y].[Zr]
InChIInChI=1S/Ba.H3O4P.Y.Zr.2H/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);;;;/q+2;;;;2*-1
InChIKeyQJTVBFOUPHZUEK-UHFFFAOYSA-N
XLogP-1.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze barium(2+);hydride;phosphoric acid;yttrium;zirconium 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

calcium;barium(2+);hydride;phosphoric acid
CID 173359934
barium(2+);hydride;phosphoric acid;selane
CID 174677056
lithium;hydride;phosphoric acid;titanium;yttrium
CID 175004074
sodium;hydride;phosphoric acid;zirconium;hydrochloride
CID 174772534
sodium;hydride;phosphoric acid;vanadium;zirconium
CID 175383669
sodium;hydride;phosphoric acid
CID 173151585
dipotassium;hydride;phosphoric acid
CID 174834732
molybdenum;phosphoric acid;zirconium
CID 173324853
alumane;phosphoric acid;zirconium
CID 174457878
undecacalcium;hydride;phosphoric acid
CID 173326872
tetralithium;hydride;phosphoric acid
CID 173293276
hydride;phosphoric acid;rubidium(1+)
CID 173017314

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;phosphoric acid;yttrium;zirconium?
The IUPAC name of barium(2+);hydride;phosphoric acid;yttrium;zirconium (CID 173258747) is barium(2+);hydride;phosphoric acid;yttrium;zirconium.
What is the SMILES notation for barium(2+);hydride;phosphoric acid;yttrium;zirconium?
The canonical SMILES for barium(2+);hydride;phosphoric acid;yttrium;zirconium is O=P(O)(O)O.[Ba+2].[H-].[H-].[Y].[Zr].
What is the InChIKey of barium(2+);hydride;phosphoric acid;yttrium;zirconium?
The InChIKey is QJTVBFOUPHZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H3O4P.Y.Zr.2H/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);;;;/q+2;;;;2*-1.
What are the key properties of barium(2+);hydride;phosphoric acid;yttrium;zirconium?
barium(2+);hydride;phosphoric acid;yttrium;zirconium has a molecular weight of 417.47 g/mol, XLogP of -1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;phosphoric acid;yttrium;zirconium is sourced from PubChem (CID 173258747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).