TL;DR: 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid (CAS 71953-80-5) is a chemical compound with molecular formula C20H32O6 and molecular weight 368.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[4,6-dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid
Also Known As: Thromboxane B3, TXB3, 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid, 9ALPHA, 11, 15S-TRIHYDROXY-THROMBA-5Z, 13E, 17Z-TRIEN-1-OIC ACID
| Molecular Formula | C20H32O6 |
| Molecular Weight | 368.21988 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.21988 Da |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
| SMILES | CCC=CCC(C=CC1C(C(CC(O1)O)O)CC=CCCCC(=O)O)O |
| InChIKey | OYPPJMLKAYYWHH-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid. Following Lipinski's Rule of Five, 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-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 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid is 71953-80-5.
The molecular formula of 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid is C20H32O6.
The molecular weight of 7-[4,6-Dihydroxy-2-(3-hydroxyocta-1,5-dienyl)oxan-3-yl]hept-5-enoic acid is 368.21988 g/mol.
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