3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine
TL;DR: 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine (CAS 13143-92-5) is a chemical compound with molecular formula C22H37N3O16 and molecular weight 599.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-amino-2-carboxyethoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: STn Epitope, Aandgs, Sialyl Tn, STn/sialyl-Tn, Epitope ID:767096
| Molecular Formula | C22H37N3O16 |
|---|---|
| Molecular Weight | 599.22 g/mol |
| LogP | -8.7 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 599.2174 |
| Heavy Atoms | 41 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 13143-92-5 |
|---|---|
| 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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)N)NC(=O)C)O)O)O |
| InChIKey | RMINQIRDFIBNLE-NNRWGFCXSA-N |
Product Overview
3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine (CAS 13143-92-5), with molecular formula C22H37N3O16 and molecular weight 599.22 g/mol. IUPAC: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-amino-2-carboxyethoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
Chemical Property Profile of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine
Property Insights of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine
The XLogP value of -8.7 indicates that 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine?
The CAS number of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine is 13143-92-5.
What is the molecular formula of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine?
The molecular formula of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine is C22H37N3O16.
What is the molecular weight of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine?
The molecular weight of 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine is 599.22 g/mol.
Where can I buy 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine?
You can request a quote for 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.