TL;DR: 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol (CAS 1148107-57-6) is a chemical compound with molecular formula C7H13NO5 and molecular weight 191.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
Also Known As: Calystegine C1, Calystegine C2, 8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol, J2.372.168F, 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentaol
| Molecular Formula | C7H13NO5 |
| Molecular Weight | 191.07938 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.07938 Da |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
| SMILES | C1C(C2C(C(C(C1(N2)O)O)O)O)O |
| InChIKey | GGOJRYWHKVYFQK-UHFFFAOYSA-N |
The XLogP value of -3.4 indicates that 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol. Following Lipinski's Rule of Five, 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol is 1148107-57-6.
The molecular formula of 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol is C7H13NO5.
The molecular weight of 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol is 191.07938 g/mol.
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