AI-Mdp
TL;DR: AI-Mdp (CAS 111364-35-3) is a chemical compound with molecular formula C29H41IN8O12 and molecular weight 820.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
AI-Mdp
methyl (2S)-2-[[(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-oxopentanoyl]amino]-3-(4-azido-3-iodophenyl)propanoate
Also Known As: AI-Mdp, N-Acetylmuramyl-alanyl-isoglutaminyl-(3'-iodo-4'-azidophenylalanine) methyl ester, methyl (2S)-2-[[(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-oxopentanoyl]amino]-3-(4-azido-3-iodophenyl)propanoate, N-acetylmuramyl-alanyl-isoglutaminyl-(3/'-iodo-4/'-azidophenylalanine) methyl ester, 3-O-[(4S,7R,10S)-4-[(4-Azido-3-iodophenyl)methyl]-6,9,12-trihydroxy-7-(3-hydroxy-3-iminopropyl)-10-methyl-3-oxo-2-oxa-5,8,11-triazatetradeca-5,8,11-trien-13-yl]-2-deoxy-2-[(1-hydroxyethylidene)amino]-alpha-D-glucopyranose
| Molecular Formula | C29H41IN8O12 |
|---|---|
| Molecular Weight | 820.19 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 820.18884 |
| Heavy Atoms | 50 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 111364-35-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC(=C(C=C1)N=[N+]=[N-])I)C(=O)OC)NC(=O)C(C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)O)NC(=O)C |
| InChIKey | MEGPXSZNPPLVTD-MMKTZVEFSA-N |
Product Overview
AI-Mdp (CAS 111364-35-3), with molecular formula C29H41IN8O12 and molecular weight 820.19 g/mol. IUPAC: methyl (2S)-2-[[(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-oxopentanoyl]amino]-3-(4-azido-3-iodophenyl)propanoate.
Chemical Property Profile of AI-Mdp
Property Insights of AI-Mdp
The XLogP value of -0.5 indicates that AI-Mdp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.0 Ų indicates high polarity, suggesting AI-Mdp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AI-Mdp has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-Mdp?
The CAS number of AI-Mdp is 111364-35-3.
What is the molecular formula of AI-Mdp?
The molecular formula of AI-Mdp is C29H41IN8O12.
What is the molecular weight of AI-Mdp?
The molecular weight of AI-Mdp is 820.19 g/mol.
Where can I buy AI-Mdp?
You can request a quote for AI-Mdp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-Mdp?
Yes, KEHONG BIO provides custom synthesis services for AI-Mdp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.