Nicotine glucuronide
TL;DR: Nicotine glucuronide (CAS 152306-59-7) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
Also Known As: Nicotine glucuronide, Nicotine N-glucuronide, nicotine-Glucuronide, (S)-nicotinium N-alpha-D-glucosiduronate, (S)-nicotinium N-
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | -2.5292 |
| Topological Polar Surface Area | 117.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 611.98535 |
Chemical Identifiers
| CAS Number | 152306-59-7 |
|---|---|
| SMILES | CN1CCC[C@H]1C2=C[N+](=CC=C2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O |
Product Overview
Nicotine glucuronide (CAS 152306-59-7), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate.
Chemical Property Profile of Nicotine glucuronide
Property Insights of Nicotine glucuronide
The XLogP value of -2.5292 indicates that Nicotine glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotine glucuronide. Following Lipinski's Rule of Five, Nicotine glucuronide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicotine glucuronide?
The CAS number of Nicotine glucuronide is 152306-59-7.
What is the molecular formula of Nicotine glucuronide?
The molecular formula of Nicotine glucuronide is C16H22N2O6.
What is the molecular weight of Nicotine glucuronide?
The molecular weight of Nicotine glucuronide is 338.15 g/mol.
Where can I buy Nicotine glucuronide?
You can request a quote for Nicotine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Nicotine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.