[(2R,3S,4R,5R,6S)-5-azido-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxidanylidene-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]-3-phenylmethoxy-oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-azido-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxidanylidene-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]-3-phenylmethoxy-oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Openeye Name: [(2R,3S,4R,5R,6S)-5-azido-3-benzyloxy-2-[[(2R,3R,4R,5S,6R)-6-(benzyloxymethyl)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]tetrahydropyran-4-yl] (3R)-3-benzyloxytetradecanoate CAS Name: (3R)-3-phenylmethoxytetradecanoic acid [(2S,3R,4R,5S,6R)-3-azido-2-[2-[(4-methoxyphenyl)methoxy]ethoxy]-6-[[(2R,3R,4R,5S,6R)-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-3-[[(3R)-1-oxo-3-(1-oxododecoxy)tetradecyl]amino]-4-[(3R)-1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-azido-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]-3-phenylmethoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Traditional Name: (3R)-3-benzoxymyristic acid [(2R,3S,4R,5R,6S)-5-azido-3-benzoxy-2-[[(2R,3R,4R,5S,6R)-6-(benzoxymethyl)-5-[(3-keto-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-3-[[(3R)-3-lauroyloxytetradecanoyl]amino]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-(2-p-anisyloxyethoxy)tetrahydropyran-4-yl] ester Formula: C119H185N4O22P MolecularWeight: 2054.729561

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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)OCCOCC6=CC=C(C=C6)OC)N=[N+]=[N-])OC(=O)CC(CCCCCCCCCCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

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)OCCOCC6=CC=C(C=C6)OC)N=[N+]=[N-])OC(=O)C[C@@H](CCCCCCCCCCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C119H185N4O22P/c1-7-12-17-22-27-32-33-38-43-48-62-77-109(126)140-104(75-60-46-41-36-30-25-20-15-10-4)86-111(128)143-116-112(121-107(124)84-103(74-59-45-40-35-29-24-19-14-9-3)139-108(125)76-61-47-42-37-31-26-21-16-11-5)118(141-105(93-132-88-95-65-52-49-53-66-95)115(116)145-146(129)137-91-99-71-63-64-72-100(99)92-138-146)136-94-106-114(135-90-97-69-56-51-57-70-97)117(113(122-123-120)119(142-106)133-83-82-131-87-98-78-80-101(130-6)81-79-98)144-110(127)85-102(134-89-96-67-54-50-55-68-96)73-58-44-39-34-28-23-18-13-8-2/h49-57,63-72,78-81,102-106,112-119H,7-48,58-62,73-77,82-94H2,1-6H3,(H,121,124)/t102-,103-,104-,105-,106-,112-,113-,114-,115-,116-,117-,118-,119+/m1/s1