barium(2+);hydrogen phosphate;phosphane

H4BaO4P2 — CID 172784321

IUPACbarium(2+);hydrogen phosphate;phosphane
SMILESO=P([O-])([O-])O.P.[Ba+2]
InChIInChI=1S/Ba.H3O4P.H3P/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H3/q+2;;/p-2
InChIKeyORHLPJNRHVJJPT-UHFFFAOYSA-L
MW267.30 g/mol
LogP-2.52
Rot. Bonds

About barium(2+);hydrogen phosphate;phosphane

barium(2+);hydrogen phosphate;phosphane (PubChem CID 172784321) has the molecular formula H4BaO4P2 and a molecular weight of 267.30 g/mol. Its IUPAC name is barium(2+);hydrogen phosphate;phosphane.

Molecular Properties

Compound Namebarium(2+);hydrogen phosphate;phosphane
PubChem CID172784321
Molecular FormulaH4BaO4P2
Molecular Weight267.30 g/mol
Exact Mass267.86
IUPAC Namebarium(2+);hydrogen phosphate;phosphane
SMILESO=P([O-])([O-])O.P.[Ba+2]
InChIInChI=1S/Ba.H3O4P.H3P/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H3/q+2;;/p-2
InChIKeyORHLPJNRHVJJPT-UHFFFAOYSA-L
XLogP-2.52
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydrogen phosphate;phosphane?
The IUPAC name of barium(2+);hydrogen phosphate;phosphane (CID 172784321) is barium(2+);hydrogen phosphate;phosphane.
What is the SMILES notation for barium(2+);hydrogen phosphate;phosphane?
The canonical SMILES for barium(2+);hydrogen phosphate;phosphane is O=P([O-])([O-])O.P.[Ba+2].
What is the InChIKey of barium(2+);hydrogen phosphate;phosphane?
The InChIKey is ORHLPJNRHVJJPT-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.H3O4P.H3P/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H3/q+2;;/p-2.
What are the key properties of barium(2+);hydrogen phosphate;phosphane?
barium(2+);hydrogen phosphate;phosphane has a molecular weight of 267.30 g/mol, XLogP of -2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydrogen phosphate;phosphane is sourced from PubChem (CID 172784321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).