Na2CO3·H2O

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Na2CO3·H2O are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Na2CO3·H2O?

The molecule Na2CO3·H2O presents a molecular formula of CH2Na2O4 and its IUPAC name is disodium; carbonate; hydrate.

Water is an essential component of the Na2CO3·H2O molecule, and the two are bonded together by hydrogen bonds. The molecule is held together by these strong bonds, which makes it difficult to break apart. The molecule is also known as sodium carbonate decahydrate, and is used in a variety of industries, including the production of glass and detergents..

3D structure

Cartesian coordinates

Geometry of Na2CO3·H2O in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Na2CO3·H2O MQRJBSHKWOFOGF-UHFFFAOYSA-L chemical compound 2D structure molecule svg
Na2CO3·H2O

 

Molecule descriptors

 
IUPAC namedisodium; carbonate; hydrate
InChI codeInChI=1S/CH2O3.2Na.H2O/c2-1(3)4;;;/h(H2,2,3,4);;;1H2/q;2*+1;/p-2
InChI KeyMQRJBSHKWOFOGF-UHFFFAOYSA-L
SMILESC(=O)([O-])[O-].O.[Na+].[Na+]

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC namedisodium; carbonate; hydrate
Molecular formulaCH2Na2O4
Molecular weight124.00
Melting point (ºC)851
Boiling point (ºC) -
Density (g/cm3)2.25
Molar refractivity
LogP-
Topological polar surface area64.2

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.