TL;DR: 2-Methyl-3,4,5-piperidinetriol (CAS 135395-45-8) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpiperidine-3,4,5-triol
Also Known As: Deoxyfuconojirimycin, Dideoxyrhamnojirimycin, 1-Deoxy-L-rhamnojirimycin, 5-epi-Deoxyrhamnojirimycin, 2-Methyl-3,4,5-piperidinetriol
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H13NO3 |
| Molecular Weight | 147.08954 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.08954 Da |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| SMILES | CC1C(C(C(CN1)O)O)O |
| InChIKey | VYOCYWDJTQRZLC-UHFFFAOYSA-N |
The XLogP value of -1.9 indicates that 2-Methyl-3,4,5-piperidinetriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3,4,5-piperidinetriol. Following Lipinski's Rule of Five, 2-Methyl-3,4,5-piperidinetriol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Methyl-3,4,5-piperidinetriol is 135395-45-8.
The molecular formula of 2-Methyl-3,4,5-piperidinetriol is C6H13NO3.
The molecular weight of 2-Methyl-3,4,5-piperidinetriol is 147.08954 g/mol.
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