bis(barium(2+));hydride;oxalic acid;phosphoric acid

C2H9Ba2O8P — CID 173360168

IUPACbis(barium(2+));hydride;oxalic acid;phosphoric acid
SMILESO=C(O)C(=O)O.O=P(O)(O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O4.2Ba.H3O4P.4H/c3-1(4)2(5)6;;;1-5(2,3)4;;;;/h(H,3,4)(H,5,6);;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyYJFANEUNOYGIBM-UHFFFAOYSA-N
MW466.72 g/mol
LogP-2.08
Rot. Bonds

About bis(barium(2+));hydride;oxalic acid;phosphoric acid

bis(barium(2+));hydride;oxalic acid;phosphoric acid (PubChem CID 173360168) has the molecular formula C2H9Ba2O8P and a molecular weight of 466.72 g/mol. Its IUPAC name is bis(barium(2+));hydride;oxalic acid;phosphoric acid.

Molecular Properties

Compound Namebis(barium(2+));hydride;oxalic acid;phosphoric acid
PubChem CID173360168
Molecular FormulaC2H9Ba2O8P
Molecular Weight466.72 g/mol
Exact Mass467.81
IUPAC Namebis(barium(2+));hydride;oxalic acid;phosphoric acid
SMILESO=C(O)C(=O)O.O=P(O)(O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O4.2Ba.H3O4P.4H/c3-1(4)2(5)6;;;1-5(2,3)4;;;;/h(H,3,4)(H,5,6);;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyYJFANEUNOYGIBM-UHFFFAOYSA-N
XLogP-2.08
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.72
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

strontium;carbonic acid;hydride;phosphoric acid
CID 173338489
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
barium(2+);hydride;phosphoric acid;selane
CID 174677056
potassium;hydride;hydrogen peroxide;phosphoric acid
CID 173155592
calcium;barium(2+);hydride;oxalic acid
CID 174906012
hydrogen peroxide;phosphoric acid
CID 18509931
barium(2+);hydride;phosphonoformic acid
CID 173136761
pentacalcium;carbonic acid;hydride;phosphoric acid;dihydrate
CID 174918708
sodium;carbonic acid;hydride;iron;phosphoric acid
CID 175192038
barium(2+);hydride;phosphoric acid;yttrium;zirconium
CID 173258747
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
CID 175180112
potassium;acetic acid;hydride;phosphoric acid
CID 173226797

Frequently Asked Questions

What is the IUPAC name of bis(barium(2+));hydride;oxalic acid;phosphoric acid?
The IUPAC name of bis(barium(2+));hydride;oxalic acid;phosphoric acid (CID 173360168) is bis(barium(2+));hydride;oxalic acid;phosphoric acid.
What is the SMILES notation for bis(barium(2+));hydride;oxalic acid;phosphoric acid?
The canonical SMILES for bis(barium(2+));hydride;oxalic acid;phosphoric acid is O=C(O)C(=O)O.O=P(O)(O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-].
What is the InChIKey of bis(barium(2+));hydride;oxalic acid;phosphoric acid?
The InChIKey is YJFANEUNOYGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2Ba.H3O4P.4H/c3-1(4)2(5)6;;;1-5(2,3)4;;;;/h(H,3,4)(H,5,6);;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1.
What are the key properties of bis(barium(2+));hydride;oxalic acid;phosphoric acid?
bis(barium(2+));hydride;oxalic acid;phosphoric acid has a molecular weight of 466.72 g/mol, XLogP of -2.08, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(barium(2+));hydride;oxalic acid;phosphoric acid is sourced from PubChem (CID 173360168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).