Ionomycin Free Acid (85%)

Chemical Information
Ionomycin is a very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca2+ and as a research tool to understand Ca2+ transport across biological membranes. It has a role as a calcium ionophore and a metabolite. It is a polyunsaturated fatty acid, a very long-chain fatty acid, an enol and a cyclic ether.
| CAS Number | 56092-81-0 |
| PubChem CID | 6912226 |
| IUPAC Name | (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid |
| Molecular Formula | C41H72O9 |
| Molecular Weight | 709.0 |
| XLogP | 7.5 |
| Topological Polar Surface Area | 154 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 22 |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1120 |
| Property | Value |
|---|---|
| Molecular Weight | 709.0 |
| XLogP3 | 7.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 22 |
| Exact Mass | 708.51763387 |
| Monoisotopic Mass | 708.51763387 |
| Topological Polar Surface Area | 154 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1120 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 14 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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