[(3R)-1-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl]oxy-1-oxidanylidene-tetradecan-3-yl] hexadecanoate

Systemtic Name: [(3R)-1-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl]oxy-1-oxidanylidene-tetradecan-3-yl] hexadecanoate Openeye Name: [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-oxo-ethyl]dodecyl] hexadecanoate CAS Name: hexadecanoic acid [(3R)-1-[[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-5-phosphonooxy-4-oxanyl]oxy]-1-oxotetradecan-3-yl] ester IUPAC Name: [(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] hexadecanoate Traditional Name: palmitic acid [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-keto-ethyl]dodecyl] ester Formula: C50H96NO13P MolecularWeight: 950.269901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)O)NC(=O)C[C@@H](CCCCCCCCCCC)O

InChI

InChI=1S/C50H96NO13P/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-37-45(55)61-42(36-33-30-27-24-18-15-12-9-6-3)39-46(56)63-49-47(50(57)62-43(40-52)48(49)64-65(58,59)60)51-44(54)38-41(53)35-32-29-26-23-17-14-11-8-5-2/h41-43,47-50,52-53,57H,4-40H2,1-3H3,(H,51,54)(H2,58,59,60)/t41-,42-,43-,47-,48-,49-,50-/m1/s1