TL;DR: 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid (CAS 63250-09-9) is a chemical compound with molecular formula C18H30O6 and molecular weight 342.20422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4,6-dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid
Also Known As: Dictyolene, 2,3-Dinor txb2, 2,3-Dinor thromboxane B2, 2,3-dinor-thromboxane B2, 5-[4,6-dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid
| Molecular Formula | C18H30O6 |
| Molecular Weight | 342.20422 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 342.20422 Da |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
| SMILES | CCCCCC(C=CC1C(C(CC(O1)O)O)CC=CCC(=O)O)O |
| InChIKey | RJHNVFKNIJQTQF-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid. Following Lipinski's Rule of Five, 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid has 4 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 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid is 63250-09-9.
The molecular formula of 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid is C18H30O6.
The molecular weight of 5-[4,6-Dihydroxy-2-(3-hydroxyoct-1-enyl)oxan-3-yl]pent-3-enoic acid is 342.20422 g/mol.
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