sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium

H7BaNaO7P2Zr2 — CID 173296088

IUPACsodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
SMILESO=P(O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[H-].[Na+].[Zr].[Zr]
InChIInChI=1S/Ba.Na.H4O7P2.2Zr.3H/c;;1-8(2,3)7-9(4,5)6;;;;;/h;;(H2,1,2,3)(H2,4,5,6);;;;;/q+2;+1;;;;3*-1
InChIKeyHVWLOWSJCJQXCY-UHFFFAOYSA-N
MW523.76 g/mol
LogP-3.86
Rot. Bonds2

About sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium

sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium (PubChem CID 173296088) has the molecular formula H7BaNaO7P2Zr2 and a molecular weight of 523.76 g/mol. Its IUPAC name is sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium.

Molecular Properties

Compound Namesodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
PubChem CID173296088
Molecular FormulaH7BaNaO7P2Zr2
Molecular Weight523.76 g/mol
Exact Mass521.67
IUPAC Namesodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
SMILESO=P(O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[H-].[Na+].[Zr].[Zr]
InChIInChI=1S/Ba.Na.H4O7P2.2Zr.3H/c;;1-8(2,3)7-9(4,5)6;;;;;/h;;(H2,1,2,3)(H2,4,5,6);;;;;/q+2;+1;;;;3*-1
InChIKeyHVWLOWSJCJQXCY-UHFFFAOYSA-N
XLogP-3.86
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.76
LogP ≤ 5-3.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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pentacalcium;hydride;phosphono dihydrogen phosphate
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beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
potassium;hydride;phosphono dihydrogen phosphate;hydrate
CID 173371445
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611
strontium;europium;hydride;phosphono dihydrogen phosphate
CID 174763145
potassium;hydride;phosphono dihydrogen phosphate;zinc
CID 174606064
trimagnesium;dipotassium;hydride;phosphono dihydrogen phosphate
CID 174478258

Frequently Asked Questions

What is the IUPAC name of sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium?
The IUPAC name of sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium (CID 173296088) is sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium.
What is the SMILES notation for sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium?
The canonical SMILES for sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium is O=P(O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[H-].[Na+].[Zr].[Zr].
What is the InChIKey of sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium?
The InChIKey is HVWLOWSJCJQXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Na.H4O7P2.2Zr.3H/c;;1-8(2,3)7-9(4,5)6;;;;;/h;;(H2,1,2,3)(H2,4,5,6);;;;;/q+2;+1;;;;3*-1.
What are the key properties of sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium?
sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium has a molecular weight of 523.76 g/mol, XLogP of -3.86, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium is sourced from PubChem (CID 173296088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).