calcium;zinc;hydrogen sulfate;phosphate

HCaO8PSZn — CID 162177681

IUPACcalcium;zinc;hydrogen sulfate;phosphate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])O.[Ca+2].[Zn+2]
InChIInChI=1S/Ca.H3O4P.H2O4S.Zn/c;2*1-5(2,3)4;/h;(H3,1,2,3,4);(H2,1,2,3,4);/q+2;;;+2/p-4
InChIKeyZOPJOZDNJDYQAX-UHFFFAOYSA-J
MW297.51 g/mol
LogP-4.20
Rot. Bonds

About calcium;zinc;hydrogen sulfate;phosphate

calcium;zinc;hydrogen sulfate;phosphate (PubChem CID 162177681) has the molecular formula HCaO8PSZn and a molecular weight of 297.51 g/mol. Its IUPAC name is calcium;zinc;hydrogen sulfate;phosphate.

Molecular Properties

Compound Namecalcium;zinc;hydrogen sulfate;phosphate
PubChem CID162177681
Molecular FormulaHCaO8PSZn
Molecular Weight297.51 g/mol
Exact Mass295.80
IUPAC Namecalcium;zinc;hydrogen sulfate;phosphate
SMILESO=P([O-])([O-])[O-].O=S(=O)([O-])O.[Ca+2].[Zn+2]
InChIInChI=1S/Ca.H3O4P.H2O4S.Zn/c;2*1-5(2,3)4;/h;(H3,1,2,3,4);(H2,1,2,3,4);/q+2;;;+2/p-4
InChIKeyZOPJOZDNJDYQAX-UHFFFAOYSA-J
XLogP-4.20
TPSA163.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 5-4.20
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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disodium;azane;dihydrogen phosphate;hydrogen sulfate
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sodium;azane;hydrogen sulfate;phosphoric acid
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CID 158672464
azanium;calcium;dihydrogen phosphate;sulfate
CID 162180049
silver;zinc;zirconium;phosphate
CID 175352769
hydrogen sulfate;zirconium(4+)
CID 11213772

Frequently Asked Questions

What is the IUPAC name of calcium;zinc;hydrogen sulfate;phosphate?
The IUPAC name of calcium;zinc;hydrogen sulfate;phosphate (CID 162177681) is calcium;zinc;hydrogen sulfate;phosphate.
What is the SMILES notation for calcium;zinc;hydrogen sulfate;phosphate?
The canonical SMILES for calcium;zinc;hydrogen sulfate;phosphate is O=P([O-])([O-])[O-].O=S(=O)([O-])O.[Ca+2].[Zn+2].
What is the InChIKey of calcium;zinc;hydrogen sulfate;phosphate?
The InChIKey is ZOPJOZDNJDYQAX-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.H3O4P.H2O4S.Zn/c;2*1-5(2,3)4;/h;(H3,1,2,3,4);(H2,1,2,3,4);/q+2;;;+2/p-4.
What are the key properties of calcium;zinc;hydrogen sulfate;phosphate?
calcium;zinc;hydrogen sulfate;phosphate has a molecular weight of 297.51 g/mol, XLogP of -4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zinc;hydrogen sulfate;phosphate is sourced from PubChem (CID 162177681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).