calcium;copper;hydrogen phosphate

H2CaCuO8P2 — CID 14367930

IUPACcalcium;copper;hydrogen phosphate
SMILESO=P([O-])([O-])O.O=P([O-])([O-])O.[Ca+2].[Cu+2]
InChIInChI=1S/Ca.Cu.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4
InChIKeyTWIOWUYENCKIFL-UHFFFAOYSA-J
MW295.58 g/mol
LogP-4.77
Rot. Bonds

About calcium;copper;hydrogen phosphate

calcium;copper;hydrogen phosphate (PubChem CID 14367930) has the molecular formula H2CaCuO8P2 and a molecular weight of 295.58 g/mol. Its IUPAC name is calcium;copper;hydrogen phosphate.

Molecular Properties

Compound Namecalcium;copper;hydrogen phosphate
PubChem CID14367930
Molecular FormulaH2CaCuO8P2
Molecular Weight295.58 g/mol
Exact Mass294.81
IUPAC Namecalcium;copper;hydrogen phosphate
SMILESO=P([O-])([O-])O.O=P([O-])([O-])O.[Ca+2].[Cu+2]
InChIInChI=1S/Ca.Cu.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4
InChIKeyTWIOWUYENCKIFL-UHFFFAOYSA-J
XLogP-4.77
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 5-4.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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potassium;hydrogen phosphate;rubidium(1+)
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tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
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Frequently Asked Questions

What is the IUPAC name of calcium;copper;hydrogen phosphate?
The IUPAC name of calcium;copper;hydrogen phosphate (CID 14367930) is calcium;copper;hydrogen phosphate.
What is the SMILES notation for calcium;copper;hydrogen phosphate?
The canonical SMILES for calcium;copper;hydrogen phosphate is O=P([O-])([O-])O.O=P([O-])([O-])O.[Ca+2].[Cu+2].
What is the InChIKey of calcium;copper;hydrogen phosphate?
The InChIKey is TWIOWUYENCKIFL-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.Cu.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4.
What are the key properties of calcium;copper;hydrogen phosphate?
calcium;copper;hydrogen phosphate has a molecular weight of 295.58 g/mol, XLogP of -4.77, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;copper;hydrogen phosphate is sourced from PubChem (CID 14367930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).