5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid
TL;DR: 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid (CAS 129178-63-8) is a chemical compound with molecular formula C18H21N5O9 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(4-azido-2-hydroxybenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Also Known As: Neuac2en, Asa-neu5Ac2en, 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid, 5-Acetamido-2,6-anhydro-9-(4'-azido-2'-hydroxybenzamido)-3,5,9-trideoxygalacto-nonuloso-2-enonic acid, (2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(4-azido-2-hydroxybenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
| Molecular Formula | C18H21N5O9 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | -0.9815 |
| Topological Polar Surface Area | 234.41 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.13394 |
| Heavy Atoms | 32 |
| Complexity | 975.5874 |
Chemical Identifiers
| CAS Number | 129178-63-8 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)O)O)C(=O)O)O |
Product Overview
5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid (CAS 129178-63-8), with molecular formula C18H21N5O9 and molecular weight 451.13 g/mol. IUPAC: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(4-azido-2-hydroxybenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
Chemical Property Profile of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid
Property Insights of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid
The XLogP value of -0.9815 indicates that 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.41 Ų indicates high polarity, suggesting 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid has 7 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 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid?
The CAS number of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid is 129178-63-8.
What is the molecular formula of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid?
The molecular formula of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid is C18H21N5O9.
What is the molecular weight of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid?
The molecular weight of 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid is 451.13 g/mol.
Where can I buy 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid?
You can request a quote for 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-N-Acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.