STn Epitope
TL;DR: STn Epitope (CAS 114661-01-7) is a chemical compound with molecular formula C22H37N3O16 and molecular weight 599.2174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxyethoxy)-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Also Known As: STn Epitope, Aandgs, NeuAc(alpha->6)GalNAc(alpha1->O)Ser, 5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxyethoxy)-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid, 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine
Technical Specifications
| Molecular Formula | C22H37N3O16 |
| Molecular Weight | 599.2174 g/mol |
| XLogP | -8.7 |
| Topological Polar Surface Area (TPSA) | 317.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 599.2174 Da |
| Heavy Atoms | 41 |
| Complexity | 941.0 |
| SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OCC(C(=O)O)N)NC(=O)C)O)O)O |
| InChIKey | RMINQIRDFIBNLE-UHFFFAOYSA-N |
Chemical Property Profile of STn Epitope
Property Insights of STn Epitope
The XLogP value of -8.7 indicates that STn Epitope is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting STn Epitope may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, STn Epitope has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of STn Epitope?
The CAS number of STn Epitope is 114661-01-7.
What is the molecular formula of STn Epitope?
The molecular formula of STn Epitope is C22H37N3O16.
What is the molecular weight of STn Epitope?
The molecular weight of STn Epitope is 599.2174 g/mol.
Where can I buy STn Epitope?
You can request a quote for STn Epitope directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for STn Epitope?
Yes, CoreyChem provides custom synthesis services for STn Epitope and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.