[2-octadecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate

Systemtic Name: [2-octadecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate Openeye Name: [3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]cyclohexoxy]phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]cyclohexyl]oxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]cyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-[[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]cyclohexoxy]phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C51H97O18P MolecularWeight: 1029.278841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OCC2C(C(C(C(O2)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OC[C@@H]2[C@H]([C@H]([C@@H](C(O2)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H97O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)64-35-38(67-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-66-70(62,63)69-50-46(58)44(56)49(45(57)47(50)59)65-37-39-42(54)43(55)48(60)51(61)68-39/h38-39,42-51,54-61H,3-37H2,1-2H3,(H,62,63)/t38?,39-,42-,43-,44-,45+,46-,47-,48+,49?,50?,51?/m1/s1