calcium;barium(2+);hydride;phosphoric acid

H7BaCaO4P — CID 173359934

IUPACcalcium;barium(2+);hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/Ba.Ca.H3O4P.4H/c;;1-5(2,3)4;;;;/h;;(H3,1,2,3,4);;;;/q2*+2;;4*-1
InChIKeyNDBWOBADOREZQU-UHFFFAOYSA-N
MW279.43 g/mol
LogP-1.24
Rot. Bonds

About calcium;barium(2+);hydride;phosphoric acid

calcium;barium(2+);hydride;phosphoric acid (PubChem CID 173359934) has the molecular formula H7BaCaO4P and a molecular weight of 279.43 g/mol. Its IUPAC name is calcium;barium(2+);hydride;phosphoric acid.

Molecular Properties

Compound Namecalcium;barium(2+);hydride;phosphoric acid
PubChem CID173359934
Molecular FormulaH7BaCaO4P
Molecular Weight279.43 g/mol
Exact Mass279.88
IUPAC Namecalcium;barium(2+);hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/Ba.Ca.H3O4P.4H/c;;1-5(2,3)4;;;;/h;;(H3,1,2,3,4);;;;/q2*+2;;4*-1
InChIKeyNDBWOBADOREZQU-UHFFFAOYSA-N
XLogP-1.24
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;hydride;hydron;phosphoric acid
CID 175552956
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;selane
CID 174689196
barium(2+);hydride;phosphoric acid;selane
CID 174677056
calcium;azane;hydride;phosphoric acid
CID 174906772
calcium;hydride;λ2-plumbane;phosphoric acid
CID 173231245
barium(2+);hydride;phosphoric acid;yttrium;zirconium
CID 173258747
calcium;hydride;phosphoric acid;hydrate;hydrochloride
CID 174378394
calcium;alumane;hydride;phosphoric acid;hydrate
CID 173289470
dicalcium;potassium;hydride;phosphoric acid;hydrochloride
CID 174488333

Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);hydride;phosphoric acid?
The IUPAC name of calcium;barium(2+);hydride;phosphoric acid (CID 173359934) is calcium;barium(2+);hydride;phosphoric acid.
What is the SMILES notation for calcium;barium(2+);hydride;phosphoric acid?
The canonical SMILES for calcium;barium(2+);hydride;phosphoric acid is O=P(O)(O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of calcium;barium(2+);hydride;phosphoric acid?
The InChIKey is NDBWOBADOREZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.H3O4P.4H/c;;1-5(2,3)4;;;;/h;;(H3,1,2,3,4);;;;/q2*+2;;4*-1.
What are the key properties of calcium;barium(2+);hydride;phosphoric acid?
calcium;barium(2+);hydride;phosphoric acid has a molecular weight of 279.43 g/mol, XLogP of -1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);hydride;phosphoric acid is sourced from PubChem (CID 173359934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).