3-fluoro-N-acetylneuraminic acid
TL;DR: 3-fluoro-N-acetylneuraminic acid (CAS 921-40-4) is a chemical compound with molecular formula C11H18FNO9 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R,6R)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: 3-Fluoro-neuac, 3-Fluoro-N-acetylneuraminic acid, 3-fluoro-N-acetylneuraminicacid, 3-Fluoro-N-acetyl-neuraminic acid, N-Acetyl-3-fluoro-neuraminic acid sodium
| Molecular Formula | C11H18FNO9 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.09656 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 921-40-4 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O |
| InChIKey | ALJLGESFXXDPKH-GPBUIYQJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-fluoro-N-acetylneuraminic acid (CAS 921-40-4), with molecular formula C11H18FNO9 and molecular weight 327.10 g/mol. IUPAC: (2R,4R,5R,6R)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
Chemical Property Profile of 3-fluoro-N-acetylneuraminic acid
Property Insights of 3-fluoro-N-acetylneuraminic acid
The XLogP value of -3.4 indicates that 3-fluoro-N-acetylneuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting 3-fluoro-N-acetylneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-fluoro-N-acetylneuraminic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-fluoro-N-acetylneuraminic acid?
The CAS number of 3-fluoro-N-acetylneuraminic acid is 921-40-4.
What is the molecular formula of 3-fluoro-N-acetylneuraminic acid?
The molecular formula of 3-fluoro-N-acetylneuraminic acid is C11H18FNO9.
What is the molecular weight of 3-fluoro-N-acetylneuraminic acid?
The molecular weight of 3-fluoro-N-acetylneuraminic acid is 327.10 g/mol.
Where can I buy 3-fluoro-N-acetylneuraminic acid?
You can request a quote for 3-fluoro-N-acetylneuraminic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-N-acetylneuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-N-acetylneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.