dimethyl-N-acetylmuramyl-alanylglutamate
TL;DR: dimethyl-N-acetylmuramyl-alanylglutamate (CAS 6636-87-9) is a chemical compound with molecular formula C21H35N3O12 and molecular weight 521.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate
Also Known As: Dimethyl-N-acmu-ala-glu, Dimethyl-N-acetylmuramyl-alanylglutamate, N-Acetylmuramyl-L-alanyl-D-glutamic acid dimethyl ester, Dimethyl-N-acetylmuramyl-L-alanyl-D-glutamate, SID:56459386
| Molecular Formula | C21H35N3O12 |
|---|---|
| Molecular Weight | 521.22 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 521.22205 |
| Heavy Atoms | 36 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 6636-87-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)OC)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 | QNRGXSPSKVOPTQ-QWSMVOLXSA-N |
Product Overview
dimethyl-N-acetylmuramyl-alanylglutamate (CAS 6636-87-9), with molecular formula C21H35N3O12 and molecular weight 521.22 g/mol. IUPAC: dimethyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate.
Chemical Property Profile of dimethyl-N-acetylmuramyl-alanylglutamate
Property Insights of dimethyl-N-acetylmuramyl-alanylglutamate
The XLogP value of -2.4 indicates that dimethyl-N-acetylmuramyl-alanylglutamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting dimethyl-N-acetylmuramyl-alanylglutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dimethyl-N-acetylmuramyl-alanylglutamate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl-N-acetylmuramyl-alanylglutamate?
The CAS number of dimethyl-N-acetylmuramyl-alanylglutamate is 6636-87-9.
What is the molecular formula of dimethyl-N-acetylmuramyl-alanylglutamate?
The molecular formula of dimethyl-N-acetylmuramyl-alanylglutamate is C21H35N3O12.
What is the molecular weight of dimethyl-N-acetylmuramyl-alanylglutamate?
The molecular weight of dimethyl-N-acetylmuramyl-alanylglutamate is 521.22 g/mol.
Where can I buy dimethyl-N-acetylmuramyl-alanylglutamate?
You can request a quote for dimethyl-N-acetylmuramyl-alanylglutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl-N-acetylmuramyl-alanylglutamate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl-N-acetylmuramyl-alanylglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.