Bafilomycin A1

Chemical Information
Bafilomycin A1 is the most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. It has a role as a ferroptosis inhibitor, a fungicide, a toxin, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an apoptosis inducer, an EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor, a bacterial metabolite, a potassium ionophore and an autophagy inhibitor. It is a macrolide antibiotic, a member of oxanes and a cyclic hemiketal.
| CAS Number | 88899-55-2 |
| PubChem CID | 6436223 |
| IUPAC Name | (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| Molecular Formula | C35H58O9 |
| Molecular Weight | 622.8 |
| XLogP | 6 |
| Topological Polar Surface Area | 135 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1060 |
| Property | Value |
|---|---|
| Molecular Weight | 622.8 |
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 622.40808342 |
| Monoisotopic Mass | 622.40808342 |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1060 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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