2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester
TL;DR: 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester (CAS 74006-95-4) is a chemical compound with molecular formula C22H31NO14 and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
Also Known As: 3134AH, 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester, N-Acetylneuraminic Acid Methyl Ester 2,4,7,8,9-Pentaacetate, N-acetylneuraminicAcidMethylEster2,4,7,8,9-Pentaacetate, 2,4,7,8,9-Penta-O-acetyl-a-D-neuraminic acid methyl ester
| Molecular Formula | C22H31NO14 |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | -0.9294 |
| Topological Polar Surface Area | 196.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.17444 |
| Heavy Atoms | 37 |
| Complexity | 917.0537 |
Chemical Identifiers
| CAS Number | 74006-95-4 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)OC(=O)C |
Product Overview
2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester (CAS 74006-95-4), with molecular formula C22H31NO14 and molecular weight 533.17 g/mol. IUPAC: methyl (2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate.
Chemical Property Profile of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester
Property Insights of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester
The XLogP value of -0.9294 indicates that 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.13 Ų indicates high polarity, suggesting 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester?
The CAS number of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester is 74006-95-4.
What is the molecular formula of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester?
The molecular formula of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester is C22H31NO14.
What is the molecular weight of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester?
The molecular weight of 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester is 533.17 g/mol.
Where can I buy 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester?
You can request a quote for 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic 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 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4,7,8,9-Penta-O-acetyl-N-acetylneuraminic Acid Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.