calcium;magnesium;carbonate;phosphate

CCaMgO7P- — CID 21293796

IUPACcalcium;magnesium;carbonate;phosphate
SMILESO=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2]
InChIInChI=1S/CH2O3.Ca.Mg.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;2*+2;/p-5
InChIKeyWDWSBJAVPRGMDQ-UHFFFAOYSA-I
MW219.36 g/mol
LogP-6.03
Rot. Bonds

About calcium;magnesium;carbonate;phosphate

calcium;magnesium;carbonate;phosphate (PubChem CID 21293796) has the molecular formula CCaMgO7P- and a molecular weight of 219.36 g/mol. Its IUPAC name is calcium;magnesium;carbonate;phosphate.

Molecular Properties

Compound Namecalcium;magnesium;carbonate;phosphate
PubChem CID21293796
Molecular FormulaCCaMgO7P-
Molecular Weight219.36 g/mol
Exact Mass218.89
IUPAC Namecalcium;magnesium;carbonate;phosphate
SMILESO=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2]
InChIInChI=1S/CH2O3.Ca.Mg.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;2*+2;/p-5
InChIKeyWDWSBJAVPRGMDQ-UHFFFAOYSA-I
XLogP-6.03
TPSA149.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-6.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

magnesium;carbonate;phosphate
CID 19104532
tricalcium;carbonate;fluoride;phosphate
CID 11437835
calcium;cerium(3+);carbonate;phosphate
CID 175169837
dicalcium;sodium;carbonate;phosphate
CID 172753689
pentapotassium;carbonate;phosphate
CID 173178340
calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
CID 159214051
calcium;sodium;dihydrogen phosphate;carbonate
CID 142655218
tricalcium;carbonic acid;diphosphate
CID 173377819
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
dizinc;hydrogen phosphate;carbonate
CID 142022309
calcium;azane;phosphoric acid;carbonate
CID 173259238

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;carbonate;phosphate?
The IUPAC name of calcium;magnesium;carbonate;phosphate (CID 21293796) is calcium;magnesium;carbonate;phosphate.
What is the SMILES notation for calcium;magnesium;carbonate;phosphate?
The canonical SMILES for calcium;magnesium;carbonate;phosphate is O=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mg+2].
What is the InChIKey of calcium;magnesium;carbonate;phosphate?
The InChIKey is WDWSBJAVPRGMDQ-UHFFFAOYSA-I. The full InChI is InChI=1S/CH2O3.Ca.Mg.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;2*+2;/p-5.
What are the key properties of calcium;magnesium;carbonate;phosphate?
calcium;magnesium;carbonate;phosphate has a molecular weight of 219.36 g/mol, XLogP of -6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;carbonate;phosphate is sourced from PubChem (CID 21293796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).