N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside
TL;DR: N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside (CAS 146117-12-6) is a chemical compound with molecular formula C19H26N2O9S and molecular weight 458.1359 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-(4-aminophenyl)sulfanyl-4-hydroxyoxane-2-carboxylic acid
Also Known As: Neu5,9Ac-aptk, Neu5,9Ac(2)-aminophenylthioketoside, N-Acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside, N-Acetyl-9-O-acetylneuraminic acid-alpha-p-aminophenylthioketoside, (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-(4-aminophenyl)sulfanyl-4-hydroxyoxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C19H26N2O9S |
| Molecular Weight | 458.1359 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.1359 Da |
| Heavy Atoms | 31 |
| Complexity | 658.0 |
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)SC2=CC=C(C=C2)N)O |
| InChIKey | UEZSWYSOYUJCRD-DPIHELBLSA-N |
Chemical Property Profile of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside
Property Insights of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside
The XLogP value of -0.7 indicates that N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside?
The CAS number of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside is 146117-12-6.
What is the molecular formula of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside?
The molecular formula of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside is C19H26N2O9S.
What is the molecular weight of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside?
The molecular weight of N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside is 458.1359 g/mol.
Where can I buy N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside?
You can request a quote for N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside?
Yes, CoreyChem provides custom synthesis services for N-acetyl-9-O-acetylneuraminic acid 4-aminophenylthioketoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.