N-acetyl-3-fluoroneuraminic acid
TL;DR: N-acetyl-3-fluoroneuraminic acid (CAS 129950-58-9) is a chemical compound with molecular formula C11H18FNO9 and molecular weight 326.0991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetamido-3-(18F)fluoro-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
Also Known As: 3-(18F)Neu5Ac, N-Acetyl-3-fluoroneuraminic acid, 5-Acetamido-3-(18F)fluoranyl-4,6,7,8,9-pentahydroxy-2-oxononanoic acid, 5-acetamido-3-fluoro-4,6,7,8,9-pentahydroxy-2-oxononanoic acid, (3xi)-5-(Acetylamino)-3,5-dideoxy-3-(fluoro-18F)-D-glycero-D-galacto-2-nonulosonic acid
Technical Specifications
| Molecular Formula | C11H18FNO9 |
| Molecular Weight | 326.0991 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.0991 Da |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
| SMILES | CC(=O)NC(C(C(C(CO)O)O)O)C(C(C(=O)C(=O)O)[18F])O |
| InChIKey | NPUIAVLGTMSGBB-DWSYCVKZSA-N |
Chemical Property Profile of N-acetyl-3-fluoroneuraminic acid
Property Insights of N-acetyl-3-fluoroneuraminic acid
The XLogP value of -3.7 indicates that N-acetyl-3-fluoroneuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting N-acetyl-3-fluoroneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetyl-3-fluoroneuraminic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-acetyl-3-fluoroneuraminic acid?
The CAS number of N-acetyl-3-fluoroneuraminic acid is 129950-58-9.
What is the molecular formula of N-acetyl-3-fluoroneuraminic acid?
The molecular formula of N-acetyl-3-fluoroneuraminic acid is C11H18FNO9.
What is the molecular weight of N-acetyl-3-fluoroneuraminic acid?
The molecular weight of N-acetyl-3-fluoroneuraminic acid is 326.0991 g/mol.
Where can I buy N-acetyl-3-fluoroneuraminic acid?
You can request a quote for N-acetyl-3-fluoroneuraminic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-acetyl-3-fluoroneuraminic acid?
Yes, CoreyChem provides custom synthesis services for N-acetyl-3-fluoroneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.