About tetrakis(antimony(3+));titanium;dodecahydroxide
tetrakis(antimony(3+));titanium;dodecahydroxide (PubChem CID 22353101) has the molecular formula H12O12Sb4Ti3
and a molecular weight of 834.73 g/mol. Its IUPAC name is tetrakis(antimony(3+));titanium;dodecahydroxide.
Molecular Properties
| Compound Name | tetrakis(antimony(3+));titanium;dodecahydroxide |
|---|
| PubChem CID | 22353101 |
|---|
| Molecular Formula | H12O12Sb4Ti3 |
|---|
| Molecular Weight | 834.73 g/mol |
|---|
| Exact Mass | 831.49 |
|---|
| IUPAC Name | tetrakis(antimony(3+));titanium;dodecahydroxide |
|---|
| SMILES | [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sb+3].[Sb+3].[Sb+3].[Sb+3].[Ti].[Ti].[Ti] |
|---|
| InChI | InChI=1S/12H2O.4Sb.3Ti/h12*1H2;;;;;;;/q;;;;;;;;;;;;4*+3;;;/p-12 |
|---|
| InChIKey | SCWHHBWBZAXNNJ-UHFFFAOYSA-B |
|---|
| XLogP | -3.65 |
|---|
| TPSA | 360.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 19 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 834.73 |
| LogP ≤ 5 | -3.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
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 tetrakis(antimony(3+));titanium;dodecahydroxide?
The IUPAC name of tetrakis(antimony(3+));titanium;dodecahydroxide (CID 22353101) is tetrakis(antimony(3+));titanium;dodecahydroxide.
What is the SMILES notation for tetrakis(antimony(3+));titanium;dodecahydroxide?
The canonical SMILES for tetrakis(antimony(3+));titanium;dodecahydroxide is [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sb+3].[Sb+3].[Sb+3].[Sb+3].[Ti].[Ti].[Ti].
What is the InChIKey of tetrakis(antimony(3+));titanium;dodecahydroxide?
The InChIKey is SCWHHBWBZAXNNJ-UHFFFAOYSA-B. The full InChI is InChI=1S/12H2O.4Sb.3Ti/h12*1H2;;;;;;;/q;;;;;;;;;;;;4*+3;;;/p-12.
What are the key properties of tetrakis(antimony(3+));titanium;dodecahydroxide?
tetrakis(antimony(3+));titanium;dodecahydroxide has a molecular weight of 834.73 g/mol, XLogP of -3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(antimony(3+));titanium;dodecahydroxide is sourced from PubChem (CID 22353101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).