calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate

HAsBaCaClO8PPb — CID 173185032

IUPACcalcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate
SMILESO=P([O-])([O-])[O-].O=[As]([O-])([O-])O.[Ba+2].[Ca+2].[Cl-].[Pb+2]
InChIInChI=1S/AsH3O4.Ba.Ca.ClH.H3O4P.Pb/c2-1(3,4)5;;;;1-5(2,3)4;/h(H3,2,3,4,5);;;1H;(H3,1,2,3,4);/q;2*+2;;;+2/p-6
InChIKeyMPWBQYRKSLDZSG-UHFFFAOYSA-H
MW654.96 g/mol
LogP-10.40
Rot. Bonds

About calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate

calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate (PubChem CID 173185032) has the molecular formula HAsBaCaClO8PPb and a molecular weight of 654.96 g/mol. Its IUPAC name is calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate.

Molecular Properties

Compound Namecalcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate
PubChem CID173185032
Molecular FormulaHAsBaCaClO8PPb
Molecular Weight654.96 g/mol
Exact Mass655.68
IUPAC Namecalcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate
SMILESO=P([O-])([O-])[O-].O=[As]([O-])([O-])O.[Ba+2].[Ca+2].[Cl-].[Pb+2]
InChIInChI=1S/AsH3O4.Ba.Ca.ClH.H3O4P.Pb/c2-1(3,4)5;;;;1-5(2,3)4;/h(H3,2,3,4,5);;;1H;(H3,1,2,3,4);/q;2*+2;;;+2/p-6
InChIKeyMPWBQYRKSLDZSG-UHFFFAOYSA-H
XLogP-10.40
TPSA169.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.96
LogP ≤ 5-10.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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;strontium;arsoric acid;hydroxide;phosphate
CID 22287672
hydrogen arsorate
CID 233
hydrogen arsorate;iron(2+)
CID 158012453
molybdenum diphosphate
CID 22395595
pentacalcium;phosphate
CID 23104844
dicalcium;hydrogen arsorate;carbonate
CID 174953049
triacontacalcium;phosphoric acid;icosaphosphate
CID 173080509
hydrogen arsorate;bis(rubidium(1+));titanium
CID 173272436
bis(barium(2+));niobium(5+);triphosphate
CID 173131360
bis(palladium(2+));chloride;phosphate
CID 173092002
iron(4+);chloride;phosphate
CID 174456268
tricalcium;fluoride;phosphate
CID 157125921

Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate?
The IUPAC name of calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate (CID 173185032) is calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate.
What is the SMILES notation for calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate?
The canonical SMILES for calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate is O=P([O-])([O-])[O-].O=[As]([O-])([O-])O.[Ba+2].[Ca+2].[Cl-].[Pb+2].
What is the InChIKey of calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate?
The InChIKey is MPWBQYRKSLDZSG-UHFFFAOYSA-H. The full InChI is InChI=1S/AsH3O4.Ba.Ca.ClH.H3O4P.Pb/c2-1(3,4)5;;;;1-5(2,3)4;/h(H3,2,3,4,5);;;1H;(H3,1,2,3,4);/q;2*+2;;;+2/p-6.
What are the key properties of calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate?
calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate has a molecular weight of 654.96 g/mol, XLogP of -10.40, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);hydrogen arsorate;lead(2+);chloride;phosphate is sourced from PubChem (CID 173185032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).