About dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide
dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide (PubChem CID 71300964) has the molecular formula H140Al2O43Si15
and a molecular weight of 1304.33 g/mol. Its IUPAC name is dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide.
Molecular Properties
| Compound Name | dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide |
|---|
| PubChem CID | 71300964 |
|---|
| Molecular Formula | H140Al2O43Si15 |
|---|
| Molecular Weight | 1304.33 g/mol |
|---|
| Exact Mass | 1302.49 |
|---|
| IUPAC Name | dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide |
|---|
| SMILES | [Al+3].[Al+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4] |
|---|
| InChI | InChI=1S/2Al.20H2O.23O.15H8Si/h;;20*1H2;;;;;;;;;;;;;;;;;;;;;;;;15*1H8/q2*+3;;;;;;;;;;;;;;;;;;;;;23*-2;15*+4/p-20 |
|---|
| InChIKey | MQQJJXDADVXECW-UHFFFAOYSA-A |
|---|
| XLogP | -44.87 |
|---|
| TPSA | 1255.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 20 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1304.33 |
| LogP ≤ 5 | -44.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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 dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide?
The IUPAC name of dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide (CID 71300964) is dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide.
What is the SMILES notation for dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide?
The canonical SMILES for dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide is [Al+3].[Al+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].[SiH8+4].
What is the InChIKey of dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide?
The InChIKey is MQQJJXDADVXECW-UHFFFAOYSA-A. The full InChI is InChI=1S/2Al.20H2O.23O.15H8Si/h;;20*1H2;;;;;;;;;;;;;;;;;;;;;;;;15*1H8/q2*+3;;;;;;;;;;;;;;;;;;;;;23*-2;15*+4/p-20.
What are the key properties of dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide?
dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide has a molecular weight of 1304.33 g/mol, XLogP of -44.87, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;tricosakis(oxygen(2-));pentadecakis(silicon(4+));icosahydroxide is sourced from PubChem (CID 71300964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).