About CID 173050648
CID 173050648 (PubChem CID 173050648) has the molecular formula H6O8P2Se3
and a molecular weight of 432.87 g/mol.
Molecular Properties
| Compound Name | CID 173050648 |
| PubChem CID | 173050648 |
| Molecular Formula | H6O8P2Se3 |
| Molecular Weight | 432.87 g/mol |
| Exact Mass | 435.70 |
| IUPAC Name | — |
| SMILES | O=P(O)(O)O.O=P(O)(O)O.[Se].[Se].[Se] |
| InChI | InChI=1S/2H3O4P.3Se/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;; |
| InChIKey | HXRUKKUJAKRGTG-UHFFFAOYSA-N |
| XLogP | -3.00 |
| TPSA | 155.52 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 432.87 |
| LogP ≤ 5 | -3.00 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 173050648?
The IUPAC name of CID 173050648 (CID 173050648) is not available.
What is the SMILES notation for CID 173050648?
The canonical SMILES for CID 173050648 is O=P(O)(O)O.O=P(O)(O)O.[Se].[Se].[Se].
What is the InChIKey of CID 173050648?
The InChIKey is HXRUKKUJAKRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O4P.3Se/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;.
What are the key properties of CID 173050648?
CID 173050648 has a molecular weight of 432.87 g/mol, XLogP of -3.00, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173050648 is sourced from PubChem (CID 173050648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).