[(2S,3R,4R,5S,6R)-2-ethanoylsulfanyl-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate

Systemtic Name: [(2S,3R,4R,5S,6R)-2-ethanoylsulfanyl-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate Openeye Name: [(2S,3R,4R,5S,6R)-2-acetylsulfanyl-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2S,3R,4R,5S,6R)-2-(acetylthio)-6-(hydroxymethyl)-3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-2-acetylsulfanyl-6-(hydroxymethyl)-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2S,3R,4R,5S,6R)-2-(acetylthio)-6-methylol-5-phosphonooxy-3-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] ester Formula: C50H94NO12PS MolecularWeight: 964.319621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)SC(=O)C)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)SC(=O)C)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C50H94NO12PS/c1-5-8-11-14-17-20-22-25-28-31-34-37-45(55)60-42(36-33-30-27-24-19-16-13-10-7-3)39-44(54)51-47-49(48(63-64(57,58)59)43(40-52)61-50(47)65-41(4)53)62-46(56)38-35-32-29-26-23-21-18-15-12-9-6-2/h42-43,47-50,52H,5-40H2,1-4H3,(H,51,54)(H2,57,58,59)/t42?,43-,47-,48-,49-,50+/m1/s1