calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate

H3CaClK2MgNaO12P3 — CID 174304543

IUPACcalcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Ca+2].[Cl-].[K+].[K+].[Mg+2].[Na+]
InChIInChI=1S/Ca.ClH.2K.Mg.Na.3H3O4P/c;;;;;;3*1-5(2,3)4/h;1H;;;;;3*(H3,1,2,3,4)/q+2;;2*+1;+2;+1;;;/p-7
InChIKeyPKPFSEHEYNFJLE-UHFFFAOYSA-G
MW488.96 g/mol
LogP-19.32
Rot. Bonds

About calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate

calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate (PubChem CID 174304543) has the molecular formula H3CaClK2MgNaO12P3 and a molecular weight of 488.96 g/mol. Its IUPAC name is calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate.

Molecular Properties

Compound Namecalcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate
PubChem CID174304543
Molecular FormulaH3CaClK2MgNaO12P3
Molecular Weight488.96 g/mol
Exact Mass487.72
IUPAC Namecalcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Ca+2].[Cl-].[K+].[K+].[Mg+2].[Na+]
InChIInChI=1S/Ca.ClH.2K.Mg.Na.3H3O4P/c;;;;;;3*1-5(2,3)4/h;1H;;;;;3*(H3,1,2,3,4)/q+2;;2*+1;+2;+1;;;/p-7
InChIKeyPKPFSEHEYNFJLE-UHFFFAOYSA-G
XLogP-19.32
TPSA250.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 5-19.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 161315092
calcium;sodium;dihydrogen phosphate;dichloride
CID 174783945
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
calcium;magnesium;azane;dihydrogen phosphate;phosphoric acid;phosphate
CID 175409363
calcium;dihydrogen phosphate;nickel(2+);phosphate
CID 157380067
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
calcium;sodium;phosphoric acid;phosphate
CID 173179477
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
magnesium;disodium;chloride;phosphate
CID 21257942

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate?
The IUPAC name of calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate (CID 174304543) is calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate.
What is the SMILES notation for calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate?
The canonical SMILES for calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate is O=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Ca+2].[Cl-].[K+].[K+].[Mg+2].[Na+].
What is the InChIKey of calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate?
The InChIKey is PKPFSEHEYNFJLE-UHFFFAOYSA-G. The full InChI is InChI=1S/Ca.ClH.2K.Mg.Na.3H3O4P/c;;;;;;3*1-5(2,3)4/h;1H;;;;;3*(H3,1,2,3,4)/q+2;;2*+1;+2;+1;;;/p-7.
What are the key properties of calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate?
calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate has a molecular weight of 488.96 g/mol, XLogP of -19.32, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate is sourced from PubChem (CID 174304543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).