Triacyl lipid A OM-174

Base Information

• Chemical Name: Triacyl lipid A OM-174
• CAS No.: 171092-39-0
• Molecular Formula: C52H100N2O20P2
• Molecular Weight: 1135.3
• Nikkaji Number: J1.419.420G
• Metabolomics Workbench ID: 70777
• ChEMBL ID: CHEMBL374223
• Mol file: 171092-39-0.mol

Synonyms:Triacyl lipid A;Triacyl lipid A OM-174;OM-174;CHEMBL374223;C13907;D09POQ;SCHEMBL132545

Chemical Property of Triacyl lipid A OM-174

Chemical Property:

• Melting Point: 154-158oC
• PKA: 1.73±0.10(Predicted)
• PSA: 373.46000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 8.62330
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 46
• Exact Mass: 1134.63446758
• Heavy Atom Count: 76
• Complexity: 1640

Purity/Quality:

DEFOSLIMOD 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O
• Isomeric SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O

Technology Process of Triacyl lipid A OM-174

There total 2 articles about Triacyl lipid A OM-174 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,4-di-O-benzyl-6-O-{3,6-di-O-benzyl-4-O-(dibenzyloxyphosphoryl)-2-deoxy-2-[(R)-3-dodecanoyloxytetradecanoylamino]-β-D-glucopyranosyl}-2-[(R)-3-benzyloxytetradecanoylamino]-2-deoxy-α-D-glucopyranosyldibenzyloxyphosphate (1025449-67-5) → OM-174 (171092-39-0)

Guidance literature:

With hydrogen; 5% Pd(II)/C(eggshell); In tetrahydrofuran; at 20 ℃; for 17h; under 4500.45 Torr;

Reference yield:

lipid A → 6-O-{2-deoxy-2-[(R)-3-dodecanoyloxy-tetradecanoylamino]-3-O-[(R)-3-tetradecanoyloxy-tetradecanoyl]-β-D-glucopyranosyl}-2-deoxy-3-O-[(R)-3-hydroxy-tetradecanoyl]-2-[(R)-3-hydroxy-tetradecanoylamino]-α-D-glucopyranose 1,4'-bisphosphate + OM-174 (171092-39-0) + C54H104N2O20P2 (171092-40-3) + lipid A from Cronobacter sakazakii BAA894

Guidance literature:

With ammonium hydroxide; water; at 50 ℃; for 6.5h;

DOI:10.1255/ejms.1074

upstream raw materials:

3,4-di-O-benzyl-6-O-{3,6-di-O-benzyl-4-O-(dibenzyloxyphosphoryl)-2-deoxy-2-[(R)-3-dodecanoyloxytetradecanoylamino]-β-D-glucopyranosyl}-2-[(R)-3-benzyloxytetradecanoylamino]-2-deoxy-α-D-glucopyranosyldibenzyloxyphosphate

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