cupric;sulfate;pentahydrate

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for cupric;sulfate;pentahydrate are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is cupric;sulfate;pentahydrate?

The molecule cupric;sulfate;pentahydrate presents a molecular formula of CuH10O9S and its IUPAC name is copper;sulfate;pentahydrate.

3D structure

Cartesian coordinates

Geometry of cupric;sulfate;pentahydrate in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

cupric;sulfate;pentahydrate JZCCFEFSEZPSOG-UHFFFAOYSA-L chemical compound 2D structure molecule svg
cupric;sulfate;pentahydrate

 

Molecule descriptors

 
IUPAC namecupric;sulfate;pentahydrate
InChI codeInChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2
InChI KeyJZCCFEFSEZPSOG-UHFFFAOYSA-L
SMILESO.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]

Physico-Chemical properties

IUPAC namecopper;sulfate;pentahydrate
Molecular formulaCuH10O9S
Molecular weight249.69
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity
LogP
Topological polar surface area93.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.