[(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-[(3-oxidanylidene-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]oxymethyl]-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxy-oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-[(3-oxidanylidene-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]oxymethyl]-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxy-oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Openeye Name: [(2S,3R,4R,5S,6R)-2-allyloxy-5-benzyloxy-6-[[(2R,3R,4R,5S,6R)-6-(benzyloxymethyl)-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]oxymethyl]-3-[[(3R)-3-benzyloxytetradecanoyl]amino]tetrahydropyran-4-yl] (3R)-3-benzyloxytetradecanoate CAS Name: (3R)-3-phenylmethoxytetradecanoic acid [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-4-[(3R)-1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-5-[[(3R)-1-oxo-3-phenylmethoxytetradecyl]amino]-3-phenylmethoxy-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxymethyl]-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Traditional Name: (3R)-3-benzoxymyristic acid [(2S,3R,4R,5S,6R)-2-allyloxy-5-benzoxy-6-[[(2R,3R,4R,5S,6R)-6-(benzoxymethyl)-5-[(3-keto-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]oxymethyl]-3-[[(3R)-3-benzoxytetradecanoyl]amino]tetrahydropyran-4-yl] ester Formula: C110H164Cl3N2O21P MolecularWeight: 1987.812721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP2(=O)OCC3=CC=CC=C3CO2)COCC4=CC=CC=C4)OCC5C(C(C(C(O5)OCC=C)NC(=O)CC(CCCCCCCCCCC)OCC6=CC=CC=C6)OC(=O)CC(CCCCCCCCCCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP2(=O)OCC3=CC=CC=C3CO2)COCC4=CC=CC=C4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OCC=C)NC(=O)C[C@@H](CCCCCCCCCCC)OCC6=CC=CC=C6)OC(=O)C[C@@H](CCCCCCCCCCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C110H164Cl3N2O21P/c1-6-11-15-19-23-27-28-32-36-40-56-72-98(117)131-94(71-55-39-35-31-26-22-18-14-9-4)76-100(119)135-106-102(115-109(120)128-85-110(111,112)113)108(132-95(83-122-77-86-59-45-41-46-60-86)104(106)136-137(121)129-81-90-67-57-58-68-91(90)82-130-137)127-84-96-103(126-80-89-65-51-44-52-66-89)105(134-99(118)75-93(125-79-88-63-49-43-50-64-88)70-54-38-34-30-25-21-17-13-8-3)101(107(133-96)123-73-10-5)114-97(116)74-92(124-78-87-61-47-42-48-62-87)69-53-37-33-29-24-20-16-12-7-2/h10,41-52,57-68,92-96,101-108H,5-9,11-40,53-56,69-85H2,1-4H3,(H,114,116)(H,115,120)/t92-,93-,94-,95-,96-,101-,102-,103-,104-,105-,106-,107+,108-/m1/s1