[(2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-oxidanylicosanoyl]amino]-5-phosphonooxy-4-tetradecanoyloxy-oxan-2-yl]oxymethyl]-3-oxidanyl-5-[[(3R)-3-oxidanylicosanoyl]amino]-6-phosphonooxy-oxan-4-yl] tetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-oxidanylicosanoyl]amino]-5-phosphonooxy-4-tetradecanoyloxy-oxan-2-yl]oxymethyl]-3-oxidanyl-5-[[(3R)-3-oxidanylicosanoyl]amino]-6-phosphonooxy-oxan-4-yl] tetradecanoate Openeye Name: [(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxyicosanoyl]amino]-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-hydroxyicosanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxymethyl]-6-phosphonooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2R,3S,4R,5R,6R)-3-hydroxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxy-1-oxoeicosyl]amino]-4-(1-oxotetradecoxy)-5-phosphonooxy-2-oxanyl]oxymethyl]-5-[[(3R)-3-hydroxy-1-oxoeicosyl]amino]-6-phosphonooxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxyicosanoyl]amino]-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-hydroxyicosanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-tetradecanoyloxyoxan-2-yl]oxymethyl]-6-phosphonooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxyeicosanoyl]amino]-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-hydroxyeicosanoyl]amino]-6-methylol-5-phosphonooxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxymethyl]-6-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C80H154N2O21P2 MolecularWeight: 1542.027082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCCCCCCCC)O)O)OC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCCCCCCCC)O)O)OC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C80H154N2O21P2/c1-5-9-13-17-21-25-29-31-33-35-39-41-45-49-53-57-65(84)61-69(86)81-73-77(100-71(88)59-55-51-47-43-37-27-23-19-15-11-7-3)75(90)68(99-80(73)103-105(94,95)96)64-97-79-74(82-70(87)62-66(85)58-54-50-46-42-40-36-34-32-30-26-22-18-14-10-6-2)78(76(67(63-83)98-79)102-104(91,92)93)101-72(89)60-56-52-48-44-38-28-24-20-16-12-8-4/h65-68,73-80,83-85,90H,5-64H2,1-4H3,(H,81,86)(H,82,87)(H2,91,92,93)(H2,94,95,96)/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-/m1/s1