TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- (CAS 109282-33-9) is a chemical compound with molecular formula C9H10O7 and molecular weight 230.04265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3S,4S,5S)-7-oxabicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
Also Known As: (2-exo,3-exo,5-endo)-7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)-, 7-Oxabicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid, (1R,2R,3S,4S,5S)-7-oxabicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
| Molecular Formula | C9H10O7 |
| Molecular Weight | 230.04265 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.04265 Da |
| Heavy Atoms | 16 |
| Complexity | 363.0 |
| SMILES | C1[C@@H]([C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | VILUPVHBJMWDJU-GNFDWLABSA-N |
The XLogP value of -1.3 indicates that 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)-. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- is 109282-33-9.
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- is C9H10O7.
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, (2-exo,3-exo,5-endo)- is 230.04265 g/mol.
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