About disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)
disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) (PubChem CID 139196401) has the molecular formula C46H60Ag2F6N4O22S2
and a molecular weight of 1414.85 g/mol. Its IUPAC name is disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate).
Molecular Properties
| Compound Name | disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) |
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| PubChem CID | 139196401 |
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| Molecular Formula | C46H60Ag2F6N4O22S2 |
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| Molecular Weight | 1414.85 g/mol |
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| Exact Mass | 1412.11 |
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| IUPAC Name | disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) |
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| SMILES | COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+] |
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| InChI | InChI=1S/4C11H15NO4.2CHF3O3S.2Ag/c4*1-14-5-6-15-7-8-16-11(13)10-3-2-4-12-9-10;2*2-1(3,4)8(5,6)7;;/h4*2-4,9H,5-8H2,1H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2 |
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| InChIKey | ACNFXPTZCNGPEK-UHFFFAOYSA-L |
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| XLogP | 3.70 |
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| TPSA | 345.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 26 |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 82 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1414.85 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) (CID 139196401) is disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) is COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.COCCOCCOC(=O)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The InChIKey is ACNFXPTZCNGPEK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C11H15NO4.2CHF3O3S.2Ag/c4*1-14-5-6-15-7-8-16-11(13)10-3-2-4-12-9-10;2*2-1(3,4)8(5,6)7;;/h4*2-4,9H,5-8H2,1H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) has a molecular weight of 1414.85 g/mol, XLogP of 3.70, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(2-(2-methoxyethoxy)ethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139196401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).