NeuNAc-4-nitrophenol
TL;DR: NeuNAc-4-nitrophenol (CAS 26112-88-9) is a chemical compound with molecular formula C17H21N2O11- and molecular weight 429.11 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-carboxylate
Also Known As: 1-Npana, NP-Nan, NeuNAc-4-nitrophenol, 4-Nitrophenyl N-acetyl-alpha-neuraminide, p-Nitrophenyl N-acetyl-alpha-neuraminide
| Molecular Formula | C17H21N2O11- |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11453 |
| Heavy Atoms | 30 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 26112-88-9 |
|---|---|
| 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-M |
Product Overview
NeuNAc-4-nitrophenol (CAS 26112-88-9), with molecular formula C17H21N2O11- and molecular weight 429.11 g/mol. IUPAC: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
Chemical Property Profile of NeuNAc-4-nitrophenol
Property Insights of NeuNAc-4-nitrophenol
The XLogP value of -0.6 indicates that NeuNAc-4-nitrophenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting NeuNAc-4-nitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NeuNAc-4-nitrophenol has 5 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 NeuNAc-4-nitrophenol?
The CAS number of NeuNAc-4-nitrophenol is 26112-88-9.
What is the molecular formula of NeuNAc-4-nitrophenol?
The molecular formula of NeuNAc-4-nitrophenol is C17H21N2O11-.
What is the molecular weight of NeuNAc-4-nitrophenol?
The molecular weight of NeuNAc-4-nitrophenol is 429.11 g/mol.
Where can I buy NeuNAc-4-nitrophenol?
You can request a quote for NeuNAc-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NeuNAc-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for NeuNAc-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.