bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate

C28H54N4O19Pd2 — CID 139057055

IUPACbis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.[O-][C@@H]1COC[C@@H]1[O-].[O-][C@@H]1COC[C@@H]1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C4H6O3.13H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3-1-7-2-4(3)6;;;;;;;;;;;;;;;/h2*1-8H;2*3-4H,1-2H2;13*1H2;;/q;;2*-2;;;;;;;;;;;;;;2*+2/t;;2*3-,4+;;;;;;;;;;;;;;;
InChIKeyAQFVSWQHDIPLAI-KIGNIKBISA-N
MW963.59 g/mol
LogP-11.49
Rot. Bonds2

About bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate

bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate (PubChem CID 139057055) has the molecular formula C28H54N4O19Pd2 and a molecular weight of 963.59 g/mol. Its IUPAC name is bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate.

Molecular Properties

Compound Namebis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate
PubChem CID139057055
Molecular FormulaC28H54N4O19Pd2
Molecular Weight963.59 g/mol
Exact Mass962.15
IUPAC Namebis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.[O-][C@@H]1COC[C@@H]1[O-].[O-][C@@H]1COC[C@@H]1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C4H6O3.13H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3-1-7-2-4(3)6;;;;;;;;;;;;;;;/h2*1-8H;2*3-4H,1-2H2;13*1H2;;/q;;2*-2;;;;;;;;;;;;;;2*+2/t;;2*3-,4+;;;;;;;;;;;;;;;
InChIKeyAQFVSWQHDIPLAI-KIGNIKBISA-N
XLogP-11.49
TPSA571.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500963.59
LogP ≤ 5-11.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine)-divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O
CID 139054289
Bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate
CID 139132985
CID 139140654
CID 139140654
Bis(2-(carboxylatomethoxy)acetate);bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));dihydrate
CID 139155138
Dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)
CID 139159118
Dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate
CID 139174890
Dipotassium;tetrakis(bis(trimethylsilyl)azanide);cobalt;bis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane;bis(2-pyridin-2-ylpyridine)
CID 168305806
Tetrapotassium;octakis(bis(trimethylsilyl)azanide);chromium;tetrakis(1,4,7,10,13,16-hexaoxacyclooctadecane);oxolane;tetrakis(2-pyridin-2-ylpyridine)
CID 168305807
Dipotassium;tetrakis(bis(trimethylsilyl)azanide);bis(1,4,7,10,13,16-hexaoxacyclooctadecane);iron;oxolane;bis(2-pyridin-2-ylpyridine)
CID 168305808
{mu-N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)-\ kappa^6^N,N',O':N'',N''',O}bis[(2,2'-bipyridine-kappa^2^N,N')copper(II)] bis(perchlorate)
CID 168307902
Hexakis(cyclopenta-1,3-diene);tris(2,6-dipyridin-2-ylpyridine);tris(manganese(2+));oxolane
CID 168342833
Bis(3,12-bis(pyridin-2-ylmethyl)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene);bis(iron(3+));tetraperchlorate
CID 168344407

Frequently Asked Questions

What is the IUPAC name of bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate?
The IUPAC name of bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate (CID 139057055) is bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate.
What is the SMILES notation for bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate?
The canonical SMILES for bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.[O-][C@@H]1COC[C@@H]1[O-].[O-][C@@H]1COC[C@@H]1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate?
The InChIKey is AQFVSWQHDIPLAI-KIGNIKBISA-N. The full InChI is InChI=1S/2C10H8N2.2C4H6O3.13H2O.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3-1-7-2-4(3)6;;;;;;;;;;;;;;;/h2*1-8H;2*3-4H,1-2H2;13*1H2;;/q;;2*-2;;;;;;;;;;;;;;2*+2/t;;2*3-,4+;;;;;;;;;;;;;;;.
What are the key properties of bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate?
bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate has a molecular weight of 963.59 g/mol, XLogP of -11.49, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S,4R)-oxolane-3,4-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tridecahydrate is sourced from PubChem (CID 139057055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).