disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)

C38H44Ag2F6N4O18S2 — CID 139196400

IUPACdisilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)
SMILESCOCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/4C9H11NO3.2CHF3O3S.2Ag/c4*1-12-5-6-13-9(11)8-3-2-4-10-7-8;2*2-1(3,4)8(5,6)7;;/h4*2-4,7H,5-6H2,1H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyPQSHDLWOPSOHFJ-UHFFFAOYSA-L
MW1238.64 g/mol
LogP3.64
Rot. Bonds16

About disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)

disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) (PubChem CID 139196400) has the molecular formula C38H44Ag2F6N4O18S2 and a molecular weight of 1238.64 g/mol. Its IUPAC name is disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)
PubChem CID139196400
Molecular FormulaC38H44Ag2F6N4O18S2
Molecular Weight1238.64 g/mol
Exact Mass1236.01
IUPAC Namedisilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)
SMILESCOCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/4C9H11NO3.2CHF3O3S.2Ag/c4*1-12-5-6-13-9(11)8-3-2-4-10-7-8;2*2-1(3,4)8(5,6)7;;/h4*2-4,7H,5-6H2,1H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyPQSHDLWOPSOHFJ-UHFFFAOYSA-L
XLogP3.64
TPSA308.08 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) (CID 139196400) is disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) is COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=O)c1cccnc1.COCCOC(=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-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
The InChIKey is PQSHDLWOPSOHFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H11NO3.2CHF3O3S.2Ag/c4*1-12-5-6-13-9(11)8-3-2-4-10-7-8;2*2-1(3,4)8(5,6)7;;/h4*2-4,7H,5-6H2,1H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate)?
disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) has a molecular weight of 1238.64 g/mol, XLogP of 3.64, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(2-methoxyethyl pyridine-3-carboxylate);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139196400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).