trimagnesium;hydrogen carbonate;dicarbonate

C4H2Mg3O12 — CID 173153250

IUPACtrimagnesium;hydrogen carbonate;dicarbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/4CH2O3.3Mg/c4*2-1(3)4;;;/h4*(H2,2,3,4);;;/q;;;;3*+2/p-6
InChIKeyNIRLICJLLFHQSG-UHFFFAOYSA-H
MW314.96 g/mol
LogP-8.26
Rot. Bonds

About trimagnesium;hydrogen carbonate;dicarbonate

trimagnesium;hydrogen carbonate;dicarbonate (PubChem CID 173153250) has the molecular formula C4H2Mg3O12 and a molecular weight of 314.96 g/mol. Its IUPAC name is trimagnesium;hydrogen carbonate;dicarbonate.

Molecular Properties

Compound Nametrimagnesium;hydrogen carbonate;dicarbonate
PubChem CID173153250
Molecular FormulaC4H2Mg3O12
Molecular Weight314.96 g/mol
Exact Mass313.91
IUPAC Nametrimagnesium;hydrogen carbonate;dicarbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/4CH2O3.3Mg/c4*2-1(3)4;;;/h4*(H2,2,3,4);;;/q;;;;3*+2/p-6
InChIKeyNIRLICJLLFHQSG-UHFFFAOYSA-H
XLogP-8.26
TPSA247.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.96
LogP ≤ 5-8.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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trisodium;hydrogen carbonate;carbonate;dihydrate
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sodium;barium(2+);hydrogen carbonate;carbonate
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trisodium;carbonic acid;hydrogen carbonate;carbonate
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lithium;magnesium;hydrogen carbonate;oxygen(2-)
CID 158101331
hydrogen carbonate;mercury(2+)
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Frequently Asked Questions

What is the IUPAC name of trimagnesium;hydrogen carbonate;dicarbonate?
The IUPAC name of trimagnesium;hydrogen carbonate;dicarbonate (CID 173153250) is trimagnesium;hydrogen carbonate;dicarbonate.
What is the SMILES notation for trimagnesium;hydrogen carbonate;dicarbonate?
The canonical SMILES for trimagnesium;hydrogen carbonate;dicarbonate is O=C([O-])O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;hydrogen carbonate;dicarbonate?
The InChIKey is NIRLICJLLFHQSG-UHFFFAOYSA-H. The full InChI is InChI=1S/4CH2O3.3Mg/c4*2-1(3)4;;;/h4*(H2,2,3,4);;;/q;;;;3*+2/p-6.
What are the key properties of trimagnesium;hydrogen carbonate;dicarbonate?
trimagnesium;hydrogen carbonate;dicarbonate has a molecular weight of 314.96 g/mol, XLogP of -8.26, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;hydrogen carbonate;dicarbonate is sourced from PubChem (CID 173153250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).