N-Glucosylnicotinate
TL;DR: N-Glucosylnicotinate (CAS 25905-63-9) is a chemical compound with molecular formula C12H16NO7+ and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylic acid
Also Known As: N-Glucosylnicotinate, N-(beta-D-glucosyl)nicotinic acid, 3-carboxy-1-beta-D-glucopyranosylpyridinium, 1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylic acid, RefChem:1091815
| Molecular Formula | C12H16NO7+ |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.09268 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 25905-63-9 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O |
| InChIKey | CRXJVFIHZPTDKA-KAMPLNKDSA-O |
Product Overview
N-Glucosylnicotinate (CAS 25905-63-9), with molecular formula C12H16NO7+ and molecular weight 286.09 g/mol. IUPAC: 1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of N-Glucosylnicotinate
Property Insights of N-Glucosylnicotinate
The XLogP value of -1.7 indicates that N-Glucosylnicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Glucosylnicotinate. Following Lipinski's Rule of Five, N-Glucosylnicotinate has 5 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 N-Glucosylnicotinate?
The CAS number of N-Glucosylnicotinate is 25905-63-9.
What is the molecular formula of N-Glucosylnicotinate?
The molecular formula of N-Glucosylnicotinate is C12H16NO7+.
What is the molecular weight of N-Glucosylnicotinate?
The molecular weight of N-Glucosylnicotinate is 286.09 g/mol.
Where can I buy N-Glucosylnicotinate?
You can request a quote for N-Glucosylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Glucosylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for N-Glucosylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.