dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate

C5H22Cl2Cu2K2Na4NiO19S2 — CID 174375521

About dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate

dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate (PubChem CID 174375521) has the molecular formula C5H22Cl2Cu2K2Na4NiO19S2 and a molecular weight of 877.19 g/mol. Its IUPAC name is dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate.

Molecular Properties

• Compound Name: dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate
• PubChem CID: 174375521
• Molecular Formula: C5H22Cl2Cu2K2Na4NiO19S2
• Molecular Weight: 877.19 g/mol
• Exact Mass: 873.64
• IUPAC Name: dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate
• SMILES: Cl[Ni]Cl.O.O.O.O.O=C(O)O.O=C(OS(=O)(=O)O)C(O)C(O)C(=O)OS(=O)(=O)O.[Cu].[Cu].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C4H6O12S2.CH2O3.2ClH.2Cu.2K.4Na.Ni.4H2O.6H/c5-1(3(7)15-17(9,10)11)2(6)4(8)16-18(12,13)14;2-1(3)4;;;;;;;;;;;;;;;;;;;;;/h1-2,5-6H,(H,9,10,11)(H,12,13,14);(H2,2,3,4);2*1H;;;;;;;;;;4*1H2;;;;;;/q;;;;;;6*+1;+2;;;;;6*-1/p-2
• InChIKey: YFBDSWFLADDWMC-UHFFFAOYSA-L
• XLogP: -22.61
• TPSA: 385.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.19
LogP ≤ 5	-22.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate?

The IUPAC name of dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate (CID 174375521) is dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate.

What is the SMILES notation for dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate?

The canonical SMILES for dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate is Cl[Ni]Cl.O.O.O.O.O=C(O)O.O=C(OS(=O)(=O)O)C(O)C(O)C(=O)OS(=O)(=O)O.[Cu].[Cu].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate?

The InChIKey is YFBDSWFLADDWMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O12S2.CH2O3.2ClH.2Cu.2K.4Na.Ni.4H2O.6H/c5-1(3(7)15-17(9,10)11)2(6)4(8)16-18(12,13)14;2-1(3)4;;;;;;;;;;;;;;;;;;;;;/h1-2,5-6H,(H,9,10,11)(H,12,13,14);(H2,2,3,4);2*1H;;;;;;;;;;4*1H2;;;;;;/q;;;;;;6*+1;+2;;;;;6*-1/p-2.

What are the key properties of dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate?

dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate has a molecular weight of 877.19 g/mol, XLogP of -22.61, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tetrasodium;carbonic acid;copper;dichloronickel;disulfo 2,3-dihydroxybutanedioate;hydride;tetrahydrate is sourced from PubChem (CID 174375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).