[(2R,3S,4R,5R,6S)-5-(3-dodecanoyloxytetradecanoylamino)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-(3-oxidanyltetradecanoylamino)oxan-3-yl]oxy-3-phosphonooxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-(3-dodecanoyloxytetradecanoylamino)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-(3-oxidanyltetradecanoylamino)oxan-3-yl]oxy-3-phosphonooxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)tetrahydropyran-3-yl]oxy-3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(3-hydroxy-1-oxotetradecyl)amino]-3-oxanyl]oxy]-6-(hydroxymethyl)-3-[[1-oxo-3-(1-oxododecoxy)tetradecyl]amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)oxan-3-yl]oxy-3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(3-hydroxytetradecanoylamino)-2-methylol-tetrahydropyran-3-yl]oxy-3-(3-lauroyloxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C80H151N2O20P MolecularWeight: 1492.030101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)OC2C(OC(C(C2O)NC(=O)CC(CCCCCCCCCCC)O)O)CO)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)CC(CCCCCCCCCCC)O)O)CO)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C80H151N2O20P/c1-6-11-16-21-26-31-32-37-42-47-52-57-71(89)97-65(55-50-45-40-35-29-24-19-14-9-4)60-72(90)100-78-74(82-69(87)59-64(54-49-44-39-34-28-23-18-13-8-3)96-70(88)56-51-46-41-36-30-25-20-15-10-5)80(99-67(62-84)77(78)102-103(93,94)95)101-76-66(61-83)98-79(92)73(75(76)91)81-68(86)58-63(85)53-48-43-38-33-27-22-17-12-7-2/h63-67,73-80,83-85,91-92H,6-62H2,1-5H3,(H,81,86)(H,82,87)(H2,93,94,95)/t63?,64?,65?,66-,67-,73-,74-,75-,76-,77-,78-,79+,80+/m1/s1