TL;DR: 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid (CAS 111037-11-7) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.23514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
Also Known As: MT-Hete, 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid, 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.23514 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 332.23514 Da |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
| SMILES | CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@@H]1C[C@H]1CCCC(=O)O)O |
| InChIKey | HTCSKVNUTLDPJF-XZZKBPRTSA-N |
The XLogP value of 5.4 indicates that 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid is 111037-11-7.
The molecular formula of 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid is C21H32O3.
The molecular weight of 5,6-Methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid is 332.23514 g/mol.
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