N-Acetyl-D-neuraminic acid methyl ester
TL;DR: N-Acetyl-D-neuraminic acid methyl ester (CAS 22900-11-4) 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.
methyl (2S,4R,5R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Also Known As: N-Acetyl-D-neuraminic acid methyl ester, methyl (2S,4R,5R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
| Molecular Formula | C12H21NO9 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | -3.7834 |
| Topological Polar Surface Area | 165.78 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.12164 |
| Heavy Atoms | 22 |
| Complexity | 417.40112 |
Chemical Identifiers
| CAS Number | 22900-11-4 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@@H](C[C@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O |
Product Overview
N-Acetyl-D-neuraminic acid methyl ester (CAS 22900-11-4), with molecular formula C12H21NO9 and molecular weight 323.12 g/mol. IUPAC: methyl (2S,4R,5R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
Chemical Property Profile of N-Acetyl-D-neuraminic acid methyl ester
Property Insights of N-Acetyl-D-neuraminic acid methyl ester
The XLogP value of -3.7834 indicates that N-Acetyl-D-neuraminic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.78 Ų indicates high polarity, suggesting N-Acetyl-D-neuraminic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyl-D-neuraminic acid methyl ester 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 N-Acetyl-D-neuraminic acid methyl ester?
The CAS number of N-Acetyl-D-neuraminic acid methyl ester is 22900-11-4.
What is the molecular formula of N-Acetyl-D-neuraminic acid methyl ester?
The molecular formula of N-Acetyl-D-neuraminic acid methyl ester is C12H21NO9.
What is the molecular weight of N-Acetyl-D-neuraminic acid methyl ester?
The molecular weight of N-Acetyl-D-neuraminic acid methyl ester is 323.12 g/mol.
Where can I buy N-Acetyl-D-neuraminic acid methyl ester?
You can request a quote for N-Acetyl-D-neuraminic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-D-neuraminic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-D-neuraminic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.