calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate

C2H2CaMg2NaO11P — CID 159214051

IUPACcalcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
SMILESO=C(O)O.O=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2].[Mg+2].[Na+].[O-2]
InChIInChI=1S/2CH2O3.Ca.2Mg.Na.H3O4P.O/c2*2-1(3)4;;;;;1-5(2,3)4;/h2*(H2,2,3,4);;;;;(H3,1,2,3,4);/q;;3*+2;+1;;-2/p-5
InChIKeyKQVPZGVMJCXPCI-UHFFFAOYSA-I
MW344.68 g/mol
LogP-9.31
Rot. Bonds

About calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate

calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate (PubChem CID 159214051) has the molecular formula C2H2CaMg2NaO11P and a molecular weight of 344.68 g/mol. Its IUPAC name is calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate.

Molecular Properties

Compound Namecalcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
PubChem CID159214051
Molecular FormulaC2H2CaMg2NaO11P
Molecular Weight344.68 g/mol
Exact Mass343.86
IUPAC Namecalcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
SMILESO=C(O)O.O=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2].[Mg+2].[Na+].[O-2]
InChIInChI=1S/2CH2O3.Ca.2Mg.Na.H3O4P.O/c2*2-1(3)4;;;;;1-5(2,3)4;/h2*(H2,2,3,4);;;;;(H3,1,2,3,4);/q;;3*+2;+1;;-2/p-5
InChIKeyKQVPZGVMJCXPCI-UHFFFAOYSA-I
XLogP-9.31
TPSA235.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 5-9.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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tricalcium;carbonate;fluoride;phosphate
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calcium;sodium;dihydrogen phosphate;carbonate
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triacontamagnesium;carbonic acid;triacontacarbonate
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pentacontasodium;carbonic acid;pentacosacarbonate
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Frequently Asked Questions

What is the IUPAC name of calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate?
The IUPAC name of calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate (CID 159214051) is calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate.
What is the SMILES notation for calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate?
The canonical SMILES for calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate is O=C(O)O.O=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2].[Mg+2].[Na+].[O-2].
What is the InChIKey of calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate?
The InChIKey is KQVPZGVMJCXPCI-UHFFFAOYSA-I. The full InChI is InChI=1S/2CH2O3.Ca.2Mg.Na.H3O4P.O/c2*2-1(3)4;;;;;1-5(2,3)4;/h2*(H2,2,3,4);;;;;(H3,1,2,3,4);/q;;3*+2;+1;;-2/p-5.
What are the key properties of calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate?
calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate has a molecular weight of 344.68 g/mol, XLogP of -9.31, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate is sourced from PubChem (CID 159214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).