8-O-Acetyl-N-acetylneuraminic acid
TL;DR: 8-O-Acetyl-N-acetylneuraminic acid (CAS 55658-53-2) is a chemical compound with molecular formula C13H21NO10 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-acetyloxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Also Known As: 8-Anana, 8-O-Acetyl-N-acetylneuraminic acid, GlyTouCan:G58129NV, G58129NV, (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-acetyloxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
| Molecular Formula | C13H21NO10 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.11655 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 55658-53-2 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)OC(=O)C)O)(C(=O)O)O)O |
| InChIKey | PPOPOQUIFLBQOB-GRRZBWEESA-N |
Product Overview
8-O-Acetyl-N-acetylneuraminic acid (CAS 55658-53-2), with molecular formula C13H21NO10 and molecular weight 351.12 g/mol. IUPAC: (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-acetyloxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 8-O-Acetyl-N-acetylneuraminic acid
Property Insights of 8-O-Acetyl-N-acetylneuraminic acid
The XLogP value of -2.9 indicates that 8-O-Acetyl-N-acetylneuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 8-O-Acetyl-N-acetylneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-O-Acetyl-N-acetylneuraminic acid has 6 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 8-O-Acetyl-N-acetylneuraminic acid?
The CAS number of 8-O-Acetyl-N-acetylneuraminic acid is 55658-53-2.
What is the molecular formula of 8-O-Acetyl-N-acetylneuraminic acid?
The molecular formula of 8-O-Acetyl-N-acetylneuraminic acid is C13H21NO10.
What is the molecular weight of 8-O-Acetyl-N-acetylneuraminic acid?
The molecular weight of 8-O-Acetyl-N-acetylneuraminic acid is 351.12 g/mol.
Where can I buy 8-O-Acetyl-N-acetylneuraminic acid?
You can request a quote for 8-O-Acetyl-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 8-O-Acetyl-N-acetylneuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-O-Acetyl-N-acetylneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.