dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide

CH12Al2Mg3O15Zn — CID 71816265

IUPACdialuminum;trimagnesium;zinc;carbonate;dodecahydroxide
SMILESO=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2]
InChIInChI=1S/CH2O3.2Al.3Mg.12H2O.Zn/c2-1(3)4;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;12*1H2;/q;2*+3;3*+2;;;;;;;;;;;;;+2/p-14
InChIKeyFFUJNGKFZABTOV-UHFFFAOYSA-A
MW456.36 g/mol
LogP-6.48
Rot. Bonds

About dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide

dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide (PubChem CID 71816265) has the molecular formula CH12Al2Mg3O15Zn and a molecular weight of 456.36 g/mol. Its IUPAC name is dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide.

Molecular Properties

Compound Namedialuminum;trimagnesium;zinc;carbonate;dodecahydroxide
PubChem CID71816265
Molecular FormulaCH12Al2Mg3O15Zn
Molecular Weight456.36 g/mol
Exact Mass453.86
IUPAC Namedialuminum;trimagnesium;zinc;carbonate;dodecahydroxide
SMILESO=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2]
InChIInChI=1S/CH2O3.2Al.3Mg.12H2O.Zn/c2-1(3)4;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;12*1H2;/q;2*+3;3*+2;;;;;;;;;;;;;+2/p-14
InChIKeyFFUJNGKFZABTOV-UHFFFAOYSA-A
XLogP-6.48
TPSA423.19 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 5-6.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide?
The IUPAC name of dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide (CID 71816265) is dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide.
What is the SMILES notation for dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide?
The canonical SMILES for dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide is O=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].
What is the InChIKey of dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide?
The InChIKey is FFUJNGKFZABTOV-UHFFFAOYSA-A. The full InChI is InChI=1S/CH2O3.2Al.3Mg.12H2O.Zn/c2-1(3)4;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;12*1H2;/q;2*+3;3*+2;;;;;;;;;;;;;+2/p-14.
What are the key properties of dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide?
dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide has a molecular weight of 456.36 g/mol, XLogP of -6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;trimagnesium;zinc;carbonate;dodecahydroxide is sourced from PubChem (CID 71816265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).