2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
TL;DR: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid (CAS 50930-22-8) is a chemical compound with molecular formula C12H21NO9 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: 1hge, A-Methoxysialic Acid, alpha-O-Methyl sialic acid, methyl alpha-D-N-acetylneuraminide, N-Acetylneuraminic acid methyl glycoside
| Molecular Formula | C12H21NO9 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12164 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 50930-22-8 |
|---|---|
| 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)OC)O |
| InChIKey | NJRVVFURCKKXOD-MIDKXNQYSA-N |
Product Overview
2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid (CAS 50930-22-8), with molecular formula C12H21NO9 and molecular weight 323.12 g/mol. IUPAC: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
Chemical Property Profile of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
Property Insights of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
The XLogP value of -2.9 indicates that 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid?
The CAS number of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid is 50930-22-8.
What is the molecular formula of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid?
The molecular formula of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid is C12H21NO9.
What is the molecular weight of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid?
The molecular weight of 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid is 323.12 g/mol.
Where can I buy 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid?
You can request a quote for 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.