TL;DR: (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (CAS 109282-32-8) is a chemical compound with molecular formula C9H12O6 and molecular weight 216.06339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3S,4S,5R)-5-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)-, (1R,2R,3S,4S,5R)-5-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-(Hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
| Molecular Formula | C9H12O6 |
| Molecular Weight | 216.06339 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06339 Da |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
| SMILES | C1[C@@H]([C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O)CO |
| InChIKey | AXYXTSFNIIJZED-VEIUFWFVSA-N |
The XLogP value of -1.2 indicates that (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid. Following Lipinski's Rule of Five, (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid 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 (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid is 109282-32-8.
The molecular formula of (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid is C9H12O6.
The molecular weight of (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid is 216.06339 g/mol.
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