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

H7BaO4PSe — CID 174677056

IUPACbarium(2+);hydride;phosphoric acid;selane
SMILESO=P(O)(O)O.[Ba+2].[H-].[H-].[SeH2]
InChIInChI=1S/Ba.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1
InChIKeySNIVKGJSHZQHQV-UHFFFAOYSA-N
MW318.31 g/mol
LogP-2.00
Rot. Bonds

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

barium(2+);hydride;phosphoric acid;selane (PubChem CID 174677056) has the molecular formula H7BaO4PSe and a molecular weight of 318.31 g/mol. Its IUPAC name is barium(2+);hydride;phosphoric acid;selane.

Molecular Properties

Compound Namebarium(2+);hydride;phosphoric acid;selane
PubChem CID174677056
Molecular FormulaH7BaO4PSe
Molecular Weight318.31 g/mol
Exact Mass319.83
IUPAC Namebarium(2+);hydride;phosphoric acid;selane
SMILESO=P(O)(O)O.[Ba+2].[H-].[H-].[SeH2]
InChIInChI=1S/Ba.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1
InChIKeySNIVKGJSHZQHQV-UHFFFAOYSA-N
XLogP-2.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;hydride;phosphoric acid;selane
CID 174689196
barium(2+);hydride;phosphoric acid;yttrium;zirconium
CID 173258747
dipotassium;hydride;phosphoric acid
CID 174834732
undecacalcium;hydride;phosphoric acid
CID 173326872
potassium;hydride;phosphoric acid
CID 173080125
magnesium;hydride;phosphoric acid
CID 172995395
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
hydride;phosphoric acid;rubidium(1+)
CID 173017314
tetralithium;hydride;phosphoric acid
CID 173293276
magnesium;hydride;phosphoric acid
CID 173011146

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;phosphoric acid;selane?
The IUPAC name of barium(2+);hydride;phosphoric acid;selane (CID 174677056) is barium(2+);hydride;phosphoric acid;selane.
What is the SMILES notation for barium(2+);hydride;phosphoric acid;selane?
The canonical SMILES for barium(2+);hydride;phosphoric acid;selane is O=P(O)(O)O.[Ba+2].[H-].[H-].[SeH2].
What is the InChIKey of barium(2+);hydride;phosphoric acid;selane?
The InChIKey is SNIVKGJSHZQHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1.
What are the key properties of barium(2+);hydride;phosphoric acid;selane?
barium(2+);hydride;phosphoric acid;selane has a molecular weight of 318.31 g/mol, XLogP of -2.00, 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;selane is sourced from PubChem (CID 174677056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).