[(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-2-[[(2R,3S,4R,5R,6S)-3-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-6-prop-2-enoxy-oxan-2-yl]methoxy]-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-6-[2,2,2-tris(chloranyl)ethoxycarbonyloxymethyl]oxan-4-yl] (3R)-3-tetradecanoyloxyheptadecanoate

Systemtic Name: [(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-2-[[(2R,3S,4R,5R,6S)-3-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-6-prop-2-enoxy-oxan-2-yl]methoxy]-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-6-[2,2,2-tris(chloranyl)ethoxycarbonyloxymethyl]oxan-4-yl] (3R)-3-tetradecanoyloxyheptadecanoate Openeye Name: [(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-allyloxy-4-[(3R)-3-benzyloxytetradecanoyl]oxy-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]tetrahydropyran-2-yl]methoxy]-5-diphenoxyphosphoryloxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)tetrahydropyran-4-yl] (3R)-3-tetradecanoyloxyheptadecanoate CAS Name: (3R)-3-(1-oxotetradecoxy)heptadecanoic acid [(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-2-[[(2R,3S,4R,5R,6S)-3-hydroxy-5-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-[(3R)-1-oxo-3-phenylmethoxytetradecoxy]-6-prop-2-enoxy-2-oxanyl]methoxy]-6-[[oxo(2,2,2-trichloroethoxy)methoxy]methyl]-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-2-[[(2R,3S,4R,5R,6S)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-6-prop-2-enoxyoxan-2-yl]methoxy]-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-4-yl] (3R)-3-tetradecanoyloxyheptadecanoate Traditional Name: (3R)-3-tetradecanoyloxyheptadecanoic acid [(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-allyloxy-4-[(3R)-3-benzoxytetradecanoyl]oxy-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]tetrahydropyran-2-yl]methoxy]-5-diphenoxyphosphoryloxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)tetrahydropyran-4-yl] ester Formula: C99H155Cl6N2O23P MolecularWeight: 1984.981361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)COC(=O)OCC(Cl)(Cl)Cl)OCC4C(C(C(C(O4)OCC=C)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)OCC5=CC=CC=C5)O)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)COC(=O)OCC(Cl)(Cl)Cl)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OCC=C)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)OCC5=CC=CC=C5)O)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C99H155Cl6N2O23P/c1-6-11-15-19-23-27-29-31-34-38-42-51-65-81(123-85(110)66-56-43-39-35-30-28-24-20-16-12-7-2)70-87(112)127-93-89(107-96(114)121-74-98(100,101)102)95(125-83(73-120-97(115)122-75-99(103,104)105)91(93)130-131(116,128-78-60-52-45-53-61-78)129-79-62-54-46-55-63-79)119-72-82-90(113)92(88(94(124-82)117-67-10-5)106-84(109)68-77(108)59-49-40-36-32-25-21-17-13-8-3)126-86(111)69-80(118-71-76-57-47-44-48-58-76)64-50-41-37-33-26-22-18-14-9-4/h10,44-48,52-55,57-58,60-63,77,80-83,88-95,108,113H,5-9,11-43,49-51,56,59,64-75H2,1-4H3,(H,106,109)(H,107,114)/t77-,80-,81-,82-,83-,88-,89-,90-,91-,92-,93-,94+,95-/m1/s1