About trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate (PubChem CID 170850432) has the molecular formula H24Mo12Na3O40P
and a molecular weight of 1915.38 g/mol. Its IUPAC name is trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate.
Molecular Properties
| Compound Name | trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate |
|---|
| PubChem CID | 170850432 |
|---|
| Molecular Formula | H24Mo12Na3O40P |
|---|
| Molecular Weight | 1915.38 g/mol |
|---|
| Exact Mass | 1938.79 |
|---|
| IUPAC Name | trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate |
|---|
| SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])[O-].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Na+].[Na+].[Na+].[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].[O-2] |
|---|
| InChI | InChI=1S/12Mo.3Na.H3O4P.12H2O.24O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q12*+4;3*+1;;;;;;;;;;;;;;24*-2/p-3 |
|---|
| InChIKey | XEBVFKFUNIVLAG-UHFFFAOYSA-K |
|---|
| XLogP | -24.59 |
|---|
| TPSA | 1148.25 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 56 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 1915.38 |
| LogP ≤ 5 | -24.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate 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 trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate?
The IUPAC name of trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate (CID 170850432) is trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate.
What is the SMILES notation for trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate?
The canonical SMILES for trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])[O-].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Na+].[Na+].[Na+].[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].[O-2].
What is the InChIKey of trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate?
The InChIKey is XEBVFKFUNIVLAG-UHFFFAOYSA-K. The full InChI is InChI=1S/12Mo.3Na.H3O4P.12H2O.24O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q12*+4;3*+1;;;;;;;;;;;;;;24*-2/p-3.
What are the key properties of trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate?
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate has a molecular weight of 1915.38 g/mol, XLogP of -24.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate is sourced from PubChem (CID 170850432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).