Nigericin
(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid
Also Known As: nigericin|Polyetherin A|Azalomycin M|Helixin C|Antibiotic X-464|Antibiotic K 178|Nigericin sodium salt|Epinigericin|Pandavir|Helix C|Azalomycin A|Helixin A|RRU6GY95IS|NIGERICIN [MI]|RefChem:165829|AC1L1R7C|BSPBio_001599|orb1706910|BRN 1696755|HMS1791P21|HMS1989P21|HMS3402P21|Antibiotic K178;Antibiotic X464|CA-421|X-464|NCGC00163412-02|J19.064K|2066A
| Molecular Formula | C40H68O11 |
|---|---|
| Molecular Weight | 724.47614 g/mol |
| LogP | 5.71 |
| Topological Polar Surface Area | 142.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 724.47614 |
| Heavy Atoms | 51 |
| Complexity | 1234.7 |
Chemical Identifiers
| CAS Number | 28380-24-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC |
Product Overview
Nigericin (CAS 28380-24-7), with molecular formula C40H68O11 and molecular weight 724.47614 g/mol. IUPAC: (2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid.
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