N-Acetylneuraminyl cholesterol
TL;DR: N-Acetylneuraminyl cholesterol (CAS 113108-90-0) is a chemical compound with molecular formula C38H63NO9 and molecular weight 677.45026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4S,5R,6R)-5-acetamido-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: N-Ana cholesterol, alpha-Sialyl cholesterol, alpha-Sialylcholesterol, alpha-Sialosyl cholesterol, beta-sialylcholesterol
Technical Specifications
| Molecular Formula | C38H63NO9 |
| Molecular Weight | 677.45026 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 677.45026 Da |
| Heavy Atoms | 48 |
| Complexity | 1190.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)C)C |
| InChIKey | GCQWCBFLOFFTJT-CANRKIPKSA-N |
Chemical Property Profile of N-Acetylneuraminyl cholesterol
Property Insights of N-Acetylneuraminyl cholesterol
The XLogP value of 6.1 indicates that N-Acetylneuraminyl cholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting N-Acetylneuraminyl cholesterol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylneuraminyl cholesterol has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Acetylneuraminyl cholesterol?
The CAS number of N-Acetylneuraminyl cholesterol is 113108-90-0.
What is the molecular formula of N-Acetylneuraminyl cholesterol?
The molecular formula of N-Acetylneuraminyl cholesterol is C38H63NO9.
What is the molecular weight of N-Acetylneuraminyl cholesterol?
The molecular weight of N-Acetylneuraminyl cholesterol is 677.45026 g/mol.
Where can I buy N-Acetylneuraminyl cholesterol?
You can request a quote for N-Acetylneuraminyl cholesterol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetylneuraminyl cholesterol?
Yes, CoreyChem provides custom synthesis services for N-Acetylneuraminyl cholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.