2-O-(4-nitrophenyl)-N-acetylneuraminic acid
TL;DR: 2-O-(4-nitrophenyl)-N-acetylneuraminic acid (CAS 123549-14-4) is a chemical compound with molecular formula C17H22N2O11 and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: 1-Npana, NP-Nan, PNP-a-NeuNAc, 2-O-(4-Nitrophenyl)-N-acetylneuraminic acid, p-Nitrophenyl N-acetyl-alpha-neuraminide
| Molecular Formula | C17H22N2O11 |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.12234 |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 123549-14-4 |
|---|---|
| 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)OC2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | OICUZSPXIJAAEA-WTUOYXTGSA-N |
Product Overview
2-O-(4-nitrophenyl)-N-acetylneuraminic acid (CAS 123549-14-4), with molecular formula C17H22N2O11 and molecular weight 430.12 g/mol. IUPAC: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
Chemical Property Profile of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid
Property Insights of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid
The XLogP value of -1.3 indicates that 2-O-(4-nitrophenyl)-N-acetylneuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting 2-O-(4-nitrophenyl)-N-acetylneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-O-(4-nitrophenyl)-N-acetylneuraminic acid has 6 hydrogen bond donor(s) and 11 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-(4-nitrophenyl)-N-acetylneuraminic acid?
The CAS number of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid is 123549-14-4.
What is the molecular formula of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid?
The molecular formula of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid is C17H22N2O11.
What is the molecular weight of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid?
The molecular weight of 2-O-(4-nitrophenyl)-N-acetylneuraminic acid is 430.12 g/mol.
Where can I buy 2-O-(4-nitrophenyl)-N-acetylneuraminic acid?
You can request a quote for 2-O-(4-nitrophenyl)-N-acetylneuraminic 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-(4-nitrophenyl)-N-acetylneuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-O-(4-nitrophenyl)-N-acetylneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.