Monophosphoryl lipid A
TL;DR: Monophosphoryl lipid A (CAS 143110-73-0) is a chemical compound with molecular formula C96H181N2O21P and molecular weight 1729.2894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R)-1-[[(2R,3R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
Also Known As: Monophosphoryl lipid A, [(3R)-1-[[(2R,3R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate, D-Glucose, 2-deoxy-6-O-(2-deoxy-2-(((3R)-1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-((3R)-1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-(((3R)-1-oxo-3-((1-oxohexadecyl)oxy)tetradecyl)amino)-, D-Glucose, 2-deoxy-6-O-(2-deoxy-2-((1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-(1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-((2-oxo-3-((1-oxohexadecyl)oxy)tetradecy)amino)-, (2(R),6(2(R),3(R)))-
Technical Specifications
| Molecular Formula | C96H181N2O21P |
| Molecular Weight | 1729.2894 g/mol |
| XLogP | 29.1 |
| Topological Polar Surface Area (TPSA) | 347.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 92 |
| Exact Mass | 1729.2894 Da |
| Heavy Atoms | 120 |
| Complexity | 2500.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O |
| InChIKey | JDEGQXOBEAJRSW-QXFLKPNTSA-N |
Chemical Property Profile of Monophosphoryl lipid A
Property Insights of Monophosphoryl lipid A
The XLogP value of 29.1 indicates that Monophosphoryl lipid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 347.0 Ų indicates high polarity, suggesting Monophosphoryl lipid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monophosphoryl lipid A has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Monophosphoryl lipid A?
The CAS number of Monophosphoryl lipid A is 143110-73-0.
What is the molecular formula of Monophosphoryl lipid A?
The molecular formula of Monophosphoryl lipid A is C96H181N2O21P.
What is the molecular weight of Monophosphoryl lipid A?
The molecular weight of Monophosphoryl lipid A is 1729.2894 g/mol.
Where can I buy Monophosphoryl lipid A?
You can request a quote for Monophosphoryl lipid A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Monophosphoryl lipid A?
Yes, CoreyChem provides custom synthesis services for Monophosphoryl lipid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.