Calcium Behenate
calcium docosanoate
Also Known As: Calcium behenate|Calcium docosanoate|Calcium didocosanoate|Docosanoic acid, calcium salt|calcium;docosanoate|calciumdidocosanoate|Behenic acid calcium salt|Docosanoic acid, calcium salt (2:1)|EC 700H|Bisdocosanoic acid calcium salt|CALCIUM BEHENATE [INCI]|C22H44O2.1/2Ca|Docosanoic acid,calcium salt (2:1)|C22-H44-O2.1/2Ca|rel-(4R,5S)-2,4,5-tri-p-tolyl-4,5-dihydro-1H-imidazole
| Molecular Formula | C44H86CaO4 |
|---|---|
| Molecular Weight | 718.6152 g/mol |
| LogP | 12.7356 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 718.6152 |
| Monoisotopic Mass | 718.6152 |
| Heavy Atoms | 49 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 36938-50-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2] |
| InChIKey | SMBKCSPGKDEPFO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium Behenate (CAS 36938-50-8), with molecular formula C44H86CaO4 and molecular weight 718.6152 g/mol. IUPAC: calcium docosanoate.
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