About tristrontium;tris(barium(2+));tetraborate
tristrontium;tris(barium(2+));tetraborate (PubChem CID 173079299) has the molecular formula B4Ba3O12Sr3
and a molecular weight of 910.08 g/mol. Its IUPAC name is tristrontium;tris(barium(2+));tetraborate.
Molecular Properties
| Compound Name | tristrontium;tris(barium(2+));tetraborate |
|---|
| PubChem CID | 173079299 |
|---|
| Molecular Formula | B4Ba3O12Sr3 |
|---|
| Molecular Weight | 910.08 g/mol |
|---|
| Exact Mass | 913.41 |
|---|
| IUPAC Name | tristrontium;tris(barium(2+));tetraborate |
|---|
| SMILES | [Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Sr+2].[Sr+2].[Sr+2] |
|---|
| InChI | InChI=1S/4BO3.3Ba.3Sr/c4*2-1(3)4;;;;;;/q4*-3;6*+2 |
|---|
| InChIKey | CLRSEFBHGFCJAM-UHFFFAOYSA-N |
|---|
| XLogP | -18.08 |
|---|
| TPSA | 276.72 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 22 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 910.08 |
| LogP ≤ 5 | -18.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze tristrontium;tris(barium(2+));tetraborate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of tristrontium;tris(barium(2+));tetraborate?
The IUPAC name of tristrontium;tris(barium(2+));tetraborate (CID 173079299) is tristrontium;tris(barium(2+));tetraborate.
What is the SMILES notation for tristrontium;tris(barium(2+));tetraborate?
The canonical SMILES for tristrontium;tris(barium(2+));tetraborate is [Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Sr+2].[Sr+2].[Sr+2].
What is the InChIKey of tristrontium;tris(barium(2+));tetraborate?
The InChIKey is CLRSEFBHGFCJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.3Ba.3Sr/c4*2-1(3)4;;;;;;/q4*-3;6*+2.
What are the key properties of tristrontium;tris(barium(2+));tetraborate?
tristrontium;tris(barium(2+));tetraborate has a molecular weight of 910.08 g/mol, XLogP of -18.08, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tristrontium;tris(barium(2+));tetraborate is sourced from PubChem (CID 173079299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).