calcium;magnesium;hydrogen carbonate

C4H4CaMgO12 — CID 18427045

IUPACcalcium;magnesium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Mg+2]
InChIInChI=1S/4CH2O3.Ca.Mg/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;2*+2/p-4
InChIKeyIGHKQELTKRYMDV-UHFFFAOYSA-J
MW308.45 g/mol
LogP-5.21
Rot. Bonds

About calcium;magnesium;hydrogen carbonate

calcium;magnesium;hydrogen carbonate (PubChem CID 18427045) has the molecular formula C4H4CaMgO12 and a molecular weight of 308.45 g/mol. Its IUPAC name is calcium;magnesium;hydrogen carbonate.

Molecular Properties

Compound Namecalcium;magnesium;hydrogen carbonate
PubChem CID18427045
Molecular FormulaC4H4CaMgO12
Molecular Weight308.45 g/mol
Exact Mass307.92
IUPAC Namecalcium;magnesium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Mg+2]
InChIInChI=1S/4CH2O3.Ca.Mg/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;2*+2/p-4
InChIKeyIGHKQELTKRYMDV-UHFFFAOYSA-J
XLogP-5.21
TPSA241.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 5-5.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze calcium;magnesium;hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;carbonic acid;hydrogen carbonate
CID 174626115
trimagnesium;hydrogen carbonate;dicarbonate
CID 173153250
calcium;azane;hydrogen carbonate;hydrochloride
CID 173114156
magnesium;sodium;hydrogen carbonate;dichloride
CID 175295989
calcium;sodium;strontium;hydrogen carbonate
CID 174700923
lithium;magnesium;hydrogen carbonate;oxygen(2-)
CID 158101331
magnesium;hydrogen carbonate;phosphinous acid
CID 174909234
hydrogen carbonate;mercury(2+)
CID 23147660
cadmium(2+);hydrogen carbonate
CID 14094645
pentaazanium;hydrogen carbonate
CID 159428979
hydrogen carbonate;rhodium(3+)
CID 158592814
hydrogen carbonate;tin(4+)
CID 159869349

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydrogen carbonate?
The IUPAC name of calcium;magnesium;hydrogen carbonate (CID 18427045) is calcium;magnesium;hydrogen carbonate.
What is the SMILES notation for calcium;magnesium;hydrogen carbonate?
The canonical SMILES for calcium;magnesium;hydrogen carbonate is O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Mg+2].
What is the InChIKey of calcium;magnesium;hydrogen carbonate?
The InChIKey is IGHKQELTKRYMDV-UHFFFAOYSA-J. The full InChI is InChI=1S/4CH2O3.Ca.Mg/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;2*+2/p-4.
What are the key properties of calcium;magnesium;hydrogen carbonate?
calcium;magnesium;hydrogen carbonate has a molecular weight of 308.45 g/mol, XLogP of -5.21, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydrogen carbonate is sourced from PubChem (CID 18427045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).