Trans-3'-Hydroxycotinine O glucoronide
TL;DR: Trans-3'-Hydroxycotinine O glucoronide (CAS 132929-88-5) is a chemical compound with molecular formula C16H20N2O8 and molecular weight 368.12198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trihydroxy-6-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)oxyoxane-2-carboxylic acid
Also Known As: 3-Hydroxycotinine glucuronide, trans-3-hydroxycotinine glucuronide, Trans-3'-Hydroxycotinine O glucoronide, trans-3'-Hydroxycotinine-O-glucuronide, N-(trans-3-Hydroxycotinine)-b-D-glucuronide
Technical Specifications
| Molecular Formula | C16H20N2O8 |
| Molecular Weight | 368.12198 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12198 Da |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
| SMILES | CN1C(CC(C1=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3=CN=CC=C3 |
| InChIKey | WALNNKZUGHYSCT-UHFFFAOYSA-N |
Chemical Property Profile of Trans-3'-Hydroxycotinine O glucoronide
Property Insights of Trans-3'-Hydroxycotinine O glucoronide
The XLogP value of -1.7 indicates that Trans-3'-Hydroxycotinine O glucoronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Trans-3'-Hydroxycotinine O glucoronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trans-3'-Hydroxycotinine O glucoronide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trans-3'-Hydroxycotinine O glucoronide?
The CAS number of Trans-3'-Hydroxycotinine O glucoronide is 132929-88-5.
What is the molecular formula of Trans-3'-Hydroxycotinine O glucoronide?
The molecular formula of Trans-3'-Hydroxycotinine O glucoronide is C16H20N2O8.
What is the molecular weight of Trans-3'-Hydroxycotinine O glucoronide?
The molecular weight of Trans-3'-Hydroxycotinine O glucoronide is 368.12198 g/mol.
Where can I buy Trans-3'-Hydroxycotinine O glucoronide?
You can request a quote for Trans-3'-Hydroxycotinine O glucoronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trans-3'-Hydroxycotinine O glucoronide?
Yes, CoreyChem provides custom synthesis services for Trans-3'-Hydroxycotinine O glucoronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.