TL;DR: Methopterosin (CAS 105519-38-8) is a chemical compound with molecular formula C26H38O6 and molecular weight 446.26685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5R)-2-[[(4R,6S,6aR,9S)-2-methoxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]oxy]oxane-3,4,5-triol
Also Known As: Methopterosin, Psa methyl ether, Pseudopterosin A methyl ether, J1.041.030D, beta-D-Xylopyranoside, (3S,7R,9S,9aR)-2,3,7,8,9,9a-hexahydro-5-methoxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-1H-phenalen-4-yl
| Molecular Formula | C26H38O6 |
| Molecular Weight | 446.26685 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.26685 Da |
| Heavy Atoms | 32 |
| Complexity | 677.0 |
| SMILES | C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C(C(=C(C1=C23)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)OC)C)C=C(C)C)C |
| InChIKey | URDVEWJGRGQYQT-RSORJSBDSA-N |
The XLogP value of 4.5 indicates that Methopterosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methopterosin. Following Lipinski's Rule of Five, Methopterosin has 3 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 Methopterosin is 105519-38-8.
The molecular formula of Methopterosin is C26H38O6.
The molecular weight of Methopterosin is 446.26685 g/mol.
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