copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate

C20H46Ag2CuN8O16 — CID 139197157

IUPACcopper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate
SMILESNCCN.NCCN.NCCN.O.O.O.O.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Ag+].[Ag+].[Cu+2]
InChIInChI=1S/2C7H5NO4.3C2H8N2.2Ag.Cu.8H2O/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;3*3-1-2-4;;;;;;;;;;;/h2*1-3H,(H,9,10)(H,11,12);3*1-4H2;;;;8*1H2/q;;;;;2*+1;+2;;;;;;;;/p-4
InChIKeyANQPQYYDLFWAKX-UHFFFAOYSA-J
MW933.91 g/mol
LogP-14.28
Rot. Bonds7

About copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate

copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate (PubChem CID 139197157) has the molecular formula C20H46Ag2CuN8O16 and a molecular weight of 933.91 g/mol. Its IUPAC name is copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate.

Molecular Properties

Compound Namecopper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate
PubChem CID139197157
Molecular FormulaC20H46Ag2CuN8O16
Molecular Weight933.91 g/mol
Exact Mass931.04
IUPAC Namecopper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate
SMILESNCCN.NCCN.NCCN.O.O.O.O.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Ag+].[Ag+].[Cu+2]
InChIInChI=1S/2C7H5NO4.3C2H8N2.2Ag.Cu.8H2O/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;3*3-1-2-4;;;;;;;;;;;/h2*1-3H,(H,9,10)(H,11,12);3*1-4H2;;;;8*1H2/q;;;;;2*+1;+2;;;;;;;;/p-4
InChIKeyANQPQYYDLFWAKX-UHFFFAOYSA-J
XLogP-14.28
TPSA594.42 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.91
LogP ≤ 5-14.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

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Related Compounds

Nickel(2+);bis(piperazin-1-ium);bis(pyridine-2,5-dicarboxylate);hydrate
CID 139043794
Bis(dimethylammonium) bis(pyridine-2,5-dicarboxylato)copper(II)
CID 139070969
Sesqui(piperazinediium) (5-carboxypyridine-2-carboxylato)bis(pyridine-2,5-dicarboxylato)cadmate(II) trihydrate
CID 139073794
Piperazinediium bis(2-carboxypyridine-3-carboxylate)
CID 139074095
Bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
CID 139158745
Tetra(2,4-pyridinedicarboxylate)terazinc(II) octa-hydtate
CID 168308578
Diaquabis(pyridine-2,3-dicarboxylato)copper(II)
CID 168308966
Hexaaquazinc(II)bis[tris(5-carboxypyridine-6-carboxylato)zincate(II)]
CID 168309953
Copper;2-azaniumylethylazanium;bis(pyridine-2,5-dicarboxylate);hexahydrate
CID 168340791
Copper;bis((4-aminophenyl)methylazanium);bis(pyridine-2,5-dicarboxylate);octahydrate
CID 168340792
Calcium;copper;bis(pyridine-2,5-dicarboxylate)
CID 168344355
Hexadecaoxidanium;tetrakis(nickel(2+));tetrakis(pyridine-2,5-dicarboxylate);octahydrate
CID 168345163

Frequently Asked Questions

What is the IUPAC name of copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate?
The IUPAC name of copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate (CID 139197157) is copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate.
What is the SMILES notation for copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate?
The canonical SMILES for copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate is NCCN.NCCN.NCCN.O.O.O.O.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Ag+].[Ag+].[Cu+2].
What is the InChIKey of copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate?
The InChIKey is ANQPQYYDLFWAKX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H5NO4.3C2H8N2.2Ag.Cu.8H2O/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;3*3-1-2-4;;;;;;;;;;;/h2*1-3H,(H,9,10)(H,11,12);3*1-4H2;;;;8*1H2/q;;;;;2*+1;+2;;;;;;;;/p-4.
What are the key properties of copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate?
copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate has a molecular weight of 933.91 g/mol, XLogP of -14.28, 7 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;disilver;tris(ethane-1,2-diamine);bis(pyridine-2,3-dicarboxylate);octahydrate is sourced from PubChem (CID 139197157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).