N-acetylmuramyl-alanylglutamine methyl ester
TL;DR: N-acetylmuramyl-alanylglutamine methyl ester (CAS 83952-40-3) is a chemical compound with molecular formula C20H34N4O11 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoate
Also Known As: Murametide, 2-(acridin-9-ylamino)phenol, N-Acetylmuramyl-alanylglutamine methyl ester, methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoate, D-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-, methyl ester
| Molecular Formula | C20H34N4O11 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 506.2224 |
| Heavy Atoms | 35 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 83952-40-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)OC)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| InChIKey | OXSVRXKURHXDIV-OTVXWGLQSA-N |
Product Overview
N-acetylmuramyl-alanylglutamine methyl ester (CAS 83952-40-3), with molecular formula C20H34N4O11 and molecular weight 506.22 g/mol. IUPAC: methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoate.
Chemical Property Profile of N-acetylmuramyl-alanylglutamine methyl ester
Property Insights of N-acetylmuramyl-alanylglutamine methyl ester
The XLogP value of -3.4 indicates that N-acetylmuramyl-alanylglutamine methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting N-acetylmuramyl-alanylglutamine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetylmuramyl-alanylglutamine methyl ester has 7 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 N-acetylmuramyl-alanylglutamine methyl ester?
The CAS number of N-acetylmuramyl-alanylglutamine methyl ester is 83952-40-3.
What is the molecular formula of N-acetylmuramyl-alanylglutamine methyl ester?
The molecular formula of N-acetylmuramyl-alanylglutamine methyl ester is C20H34N4O11.
What is the molecular weight of N-acetylmuramyl-alanylglutamine methyl ester?
The molecular weight of N-acetylmuramyl-alanylglutamine methyl ester is 506.22 g/mol.
Where can I buy N-acetylmuramyl-alanylglutamine methyl ester?
You can request a quote for N-acetylmuramyl-alanylglutamine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylmuramyl-alanylglutamine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-acetylmuramyl-alanylglutamine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.