[(2R,3S,4R,5R,6S)-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-oxidanyl-2-tritio-ethoxy)-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxidanylidene-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-6-(2-oxidanyl-2-tritio-ethoxy)-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Openeye Name: [(2R,3S,4R,5R,6S)-3-benzyloxy-2-[[(2R,3R,4R,5S,6R)-6-(benzyloxymethyl)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-5-[[(3R)-3-benzyloxytetradecanoyl]amino]-6-(2-hydroxy-2-tritio-ethoxy)tetrahydropyran-4-yl] (3R)-3-benzyloxytetradecanoate CAS Name: (3R)-3-phenylmethoxytetradecanoic acid [(2S,3R,4R,5S,6R)-2-(2-hydroxy-2-tritioethoxy)-6-[[(2R,3R,4R,5S,6R)-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-3-[[(3R)-1-oxo-3-(1-oxododecoxy)tetradecyl]amino]-4-[(3R)-1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-3-[[(3R)-1-oxo-3-phenylmethoxytetradecyl]amino]-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxo-1,5-dihydro-2,4,3$l^{5}-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-6-(2-hydroxy-2-tritioethoxy)-3-phenylmethoxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]oxan-4-yl] (3R)-3-phenylmethoxytetradecanoate Traditional Name: (3R)-3-benzoxymyristic acid [(2R,3S,4R,5R,6S)-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]-5-[[(3R)-3-benzoxytetradecanoyl]amino]-6-(2-hydroxy-2-tritio-ethoxy)tetrahydropyran-4-yl] ester Formula: C132H211N2O23P MolecularWeight: 2227.06921

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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)OCCO)NC(=O)CC(CCCCCCCCCCC)OCC6=CC=CC=C6)OC(=O)CC(CCCCCCCCCCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

[3H]C(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OP4(=O)OCC5=CC=CC=C5CO4)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OCC6=CC=CC=C6)OC(=O)C[C@@H](CCCCCCCCCCC)OCC7=CC=CC=C7)NC(=O)C[C@@H](CCCCCCCCCCC)OCC8=CC=CC=C8)O

InChI

InChI=1S/C132H211N2O23P/c1-7-13-19-25-31-37-38-44-50-56-74-92-122(139)152-116(90-72-54-48-42-35-29-23-17-11-5)98-124(141)156-130-126(134-120(137)96-115(89-71-53-47-41-34-28-22-16-10-4)151-121(138)91-73-55-49-43-36-30-24-18-12-6)132(153-117(105-143-99-107-77-61-57-62-78-107)128(130)157-158(142)149-103-111-85-75-76-86-112(111)104-150-158)148-106-118-127(147-102-110-83-67-60-68-84-110)129(155-123(140)97-114(146-101-109-81-65-59-66-82-109)88-70-52-46-40-33-27-21-15-9-3)125(131(154-118)144-94-93-135)133-119(136)95-113(145-100-108-79-63-58-64-80-108)87-69-51-45-39-32-26-20-14-8-2/h57-68,75-86,113-118,125-132,135H,7-56,69-74,87-106H2,1-6H3,(H,133,136)(H,134,137)/t113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131+,132-/m1/s1/i93T/t93?,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131+,132-