1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
TL;DR: 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol (CAS 95238-29-2) is a chemical compound with molecular formula C54H98N4O15 and molecular weight 1042.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(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]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Also Known As: Mdp-gdp, Muramyl dipeptide-glyceryldipalmitate, [3-[(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]oxy-2-hexadecanoyloxypropyl] hexadecanoate, D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-, (+)-, 1-(N-Acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
| Molecular Formula | C54H98N4O15 |
|---|---|
| Molecular Weight | 1042.70 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 48 |
| Exact Mass | 1042.7029 |
| Heavy Atoms | 73 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 95238-29-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | QWBADGLTIJHEGX-IUNAUVRHSA-N |
Product Overview
1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol (CAS 95238-29-2), with molecular formula C54H98N4O15 and molecular weight 1042.70 g/mol. IUPAC: [3-[(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]oxy-2-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
Property Insights of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
The XLogP value of 11.1 indicates that 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol?
The CAS number of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol is 95238-29-2.
What is the molecular formula of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol?
The molecular formula of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol is C54H98N4O15.
What is the molecular weight of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol?
The molecular weight of 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol is 1042.70 g/mol.
Where can I buy 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol?
You can request a quote for 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.