CALCIUM ZINC STEARATE

General Information

Mainterm	CALCIUM ZINC STEARATE
CAS Reg.No.(or other ID)	17157-03-8
Regnum	177.1210

From www.fda.gov

Computed Descriptors

2D Structure
CID	18471329
IUPAC Name	calcium;zinc;octadecanoate
InChI	InChI=1S/C18H36O2.Ca.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;2*+2/p-1
InChI Key	HENMSNJYDGNBMU-UHFFFAOYSA-M
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2].[Zn+2]
Molecular Formula	C18H35CaO2Zn+3

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	388.934
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Complexity	196.0
CACTVS Substructure Key Fingerprint	A A A D c f B 4 M A A A A A g C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	40.1
Monoisotopic Mass	387.155
Exact Mass	387.155
Compound Is Canonicalized	True
Formal Charge	3
Heavy Atom Count	22
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Long-chain fatty acids
Alternative Parents	Organic calcium salts Organic transition metal salts Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations Carboxylic acids Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Long-chain fatty acid - Carboxylic acid salt - Organic calcium salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

From ClassyFire