About trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide
trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide (PubChem CID 173155021) has the molecular formula H10Al3Fe3Mg3O40Si10Zn3
and a molecular weight of 1448.47 g/mol. Its IUPAC name is trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide.
Molecular Properties
| Compound Name | trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide |
|---|
| PubChem CID | 173155021 |
|---|
| Molecular Formula | H10Al3Fe3Mg3O40Si10Zn3 |
|---|
| Molecular Weight | 1448.47 g/mol |
|---|
| Exact Mass | 1442.14 |
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| IUPAC Name | trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide |
|---|
| SMILES | O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Al+3].[Fe+3].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2] |
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| InChI | InChI=1S/3Al.3Fe.3Mg.10O3Si.10H2O.3Zn/c;;;;;;;;;10*1-4(2)3;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;;10*1H2;;;/q6*+3;3*+2;10*-2;;;;;;;;;;;3*+2/p-10 |
|---|
| InChIKey | QJUIDONYPINSTE-UHFFFAOYSA-D |
|---|
| XLogP | -32.84 |
|---|
| TPSA | 931.90 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 40 |
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| Rotatable Bonds | |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1448.47 |
| LogP ≤ 5 | -32.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide?
The IUPAC name of trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide (CID 173155021) is trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide.
What is the SMILES notation for trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide?
The canonical SMILES for trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide is O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Al+3].[Fe+3].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide?
The InChIKey is QJUIDONYPINSTE-UHFFFAOYSA-D. The full InChI is InChI=1S/3Al.3Fe.3Mg.10O3Si.10H2O.3Zn/c;;;;;;;;;10*1-4(2)3;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;;10*1H2;;;/q6*+3;3*+2;10*-2;;;;;;;;;;;3*+2/p-10.
What are the key properties of trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide?
trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide has a molecular weight of 1448.47 g/mol, XLogP of -32.84, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide is sourced from PubChem (CID 173155021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).