[(2R)-3-[2-[[6-[3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropylamino]-6-oxidanylidene-hexanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate

Systemtic Name: [(2R)-3-[2-[[6-[3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropylamino]-6-oxidanylidene-hexanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate Openeye Name: [(2R)-3-[hydroxy-[2-[[6-oxo-6-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropylamino]hexanoyl]amino]ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R)-3-[2-[[1,6-dioxo-6-[3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propylamino]hexyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2R)-3-[hydroxy-[2-[[6-oxo-6-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]hexanoyl]amino]ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(2R)-3-[hydroxy-[2-[[6-keto-6-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropylamino]hexanoyl]amino]ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C56H103N2O16P MolecularWeight: 1091.394581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC(=O)NCCCOC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCC(=O)NCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C56H103N2O16P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-51(62)70-45-47(73-52(63)39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)46-72-75(67,68)71-43-41-58-50(61)37-34-33-36-49(60)57-40-35-42-69-56-55(66)54(65)53(64)48(44-59)74-56/h17-20,47-48,53-56,59,64-66H,3-16,21-46H2,1-2H3,(H,57,60)(H,58,61)(H,67,68)/b19-17-,20-18-/t47-,48-,53+,54+,55-,56-/m1/s1