disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate

C42H56Ag2N6O22 — CID 139159809

IUPACdisilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate
SMILESCO.CO.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C20H24N2O7.2CH4O.2Ag.2NO3/c2*23-19(17-3-1-5-21-15-17)28-13-11-26-9-7-25-8-10-27-12-14-29-20(24)18-4-2-6-22-16-18;2*1-2;;;2*2-1(3)4/h2*1-6,15-16H,7-14H2;2*2H,1H3;;;;/q;;;;2*+1;2*-1
InChIKeyCWVJVXDYOYMSNS-UHFFFAOYSA-N
MW1212.67 g/mol
LogP1.81
Rot. Bonds28

About disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate

disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate (PubChem CID 139159809) has the molecular formula C42H56Ag2N6O22 and a molecular weight of 1212.67 g/mol. Its IUPAC name is disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate.

Molecular Properties

Compound Namedisilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate
PubChem CID139159809
Molecular FormulaC42H56Ag2N6O22
Molecular Weight1212.67 g/mol
Exact Mass1210.15
IUPAC Namedisilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate
SMILESCO.CO.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C20H24N2O7.2CH4O.2Ag.2NO3/c2*23-19(17-3-1-5-21-15-17)28-13-11-26-9-7-25-8-10-27-12-14-29-20(24)18-4-2-6-22-16-18;2*1-2;;;2*2-1(3)4/h2*1-6,15-16H,7-14H2;2*2H,1H3;;;;/q;;;;2*+1;2*-1
InChIKeyCWVJVXDYOYMSNS-UHFFFAOYSA-N
XLogP1.81
TPSA385.00 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate?
The IUPAC name of disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate (CID 139159809) is disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate.
What is the SMILES notation for disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate?
The canonical SMILES for disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate is CO.CO.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=C(OCCOCCOCCOCCOC(=O)c1cccnc1)c1cccnc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate?
The InChIKey is CWVJVXDYOYMSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24N2O7.2CH4O.2Ag.2NO3/c2*23-19(17-3-1-5-21-15-17)28-13-11-26-9-7-25-8-10-27-12-14-29-20(24)18-4-2-6-22-16-18;2*1-2;;;2*2-1(3)4/h2*1-6,15-16H,7-14H2;2*2H,1H3;;;;/q;;;;2*+1;2*-1.
What are the key properties of disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate?
disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate has a molecular weight of 1212.67 g/mol, XLogP of 1.81, 28 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;methanol;bis(2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate);dinitrate is sourced from PubChem (CID 139159809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).