Products 220048-49-7
CAS 220048-49-7 is the registry number for 3D-Monophosphoryl Lipid (12,16) (free acid). Offered by: MedChemExpress. Available pack sizes: Get quote.
[(3R)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate (CAS 220048-49-7) is a chemical compound with the molecular formula C96H181N2O21P and a molecular weight of 1730.4 g/mol. IUPAC name: [(3R)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate. InChIKey: OPGTXAUDXWCGFI-OEHZVWPTSA-N.
| Molecular formula | C96H181N2O21P |
|---|---|
| Molecular weight | 1730.4 g/mol |
| IUPAC name | [(3R)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate |
| InChIKey | OPGTXAUDXWCGFI-OEHZVWPTSA-N |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)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 |
Computed by PubChem (NCBI)
Synonyms:
orb2814337