[(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrahydroxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrahydroxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrahydroxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-[[(1R,2R,3R,4R,5S,6R)-3-(aminomethyl)-2,4,5,6-tetrahydroxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C42H82NO12P MolecularWeight: 824.073741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)CN)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H82NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(44)52-32-34(54-37(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-53-56(50,51)55-42-39(47)35(31-43)38(46)40(48)41(42)49/h34-35,38-42,46-49H,3-33,43H2,1-2H3,(H,50,51)/t34-,35+,38+,39+,40-,41+,42+/m0/s1