TL;DR: altertoxin III (CAS 105579-74-6) is a chemical compound with molecular formula C20H12O6 and molecular weight 348.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,5R,12S,13R,15R)-8,18-dihydroxy-4,14-dioxaheptacyclo[10.8.1.12,7.03,5.013,15.017,21.011,22]docosa-1(21),7,9,11(22),17,19-hexaene-6,16-dione
Also Known As: Altertoxin III, dihydroxy[?]dione, (2S,3R,5R,12S,13R,15R)-8,18-dihydroxy-4,14-dioxaheptacyclo[10.8.1.12,7.03,5.013,15.017,21.011,22]docosa-1(21),7,9,11(22),17,19-hexaene-6,16-dione, Perylo(1,2-b:7,8-b')bisoxirene-5,10-dione, 1a,1b,5a,6a,6b,10a-hexahydro-4,9-dihydroxy-, (1aR,1bS,5aR,6aR,6bS,10aR)-, Perylo(1,2-b:7,8-b')bisoxirene-5,10-dione, 1a,1b,5a,6a,6b,10a-hexahydro-4,9-dihydroxy-, (1aR-(1a-alpha,1b-beta,5a-alpha,6a-alpha,6b-beta,10a-alpha))-
| Molecular Formula | C20H12O6 |
| Molecular Weight | 348.0634 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.0634 Da |
| Heavy Atoms | 26 |
| Complexity | 661.0 |
| SMILES | C1=CC(=C2C3=C1[C@@H]4[C@@H]5[C@@H](O5)C(=O)C6=C(C=CC(=C46)[C@@H]3[C@@H]7[C@H](C2=O)O7)O)O |
| InChIKey | CJGDIPRCPKGNLW-AHYXFKKWSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for altertoxin III. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for altertoxin III. Following Lipinski's Rule of Five, altertoxin III has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of altertoxin III is 105579-74-6.
The molecular formula of altertoxin III is C20H12O6.
The molecular weight of altertoxin III is 348.0634 g/mol.
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