[(2R,3S,4R,5R)-5-(dodecanoylamino)-3-[(2S,3R,4R,5S,6R)-3-(dodecanoylamino)-4-dodecanoyloxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl] dodecanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(dodecanoylamino)-3-[(2S,3R,4R,5S,6R)-3-(dodecanoylamino)-4-dodecanoyloxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl] dodecanoate Openeye Name: [(3R,4R,5S,6R)-3-(dodecanoylamino)-5-[(2S,3R,4R,5S,6R)-3-(dodecanoylamino)-4-dodecanoyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] dodecanoate CAS Name: dodecanoic acid [(3R,4R,5S,6R)-2-hydroxy-5-[[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(1-oxododecoxy)-3-(1-oxododecylamino)-2-oxanyl]oxy]-6-(hydroxymethyl)-3-(1-oxododecylamino)-4-oxanyl] ester IUPAC Name: [(3R,4R,5S,6R)-3-(dodecanoylamino)-5-[(2S,3R,4R,5S,6R)-3-(dodecanoylamino)-4-dodecanoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl] dodecanoate Traditional Name: lauric acid [(3R,4R,5S,6R)-2-hydroxy-5-[(2S,3R,4R,5S,6R)-5-hydroxy-3-(lauroylamino)-4-lauroyloxy-6-methylol-tetrahydropyran-2-yl]oxy-3-(lauroylamino)-6-methylol-tetrahydropyran-4-yl] ester Formula: C60H112N2O13 MolecularWeight: 1069.53688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCC)O)CO)CO)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C60H112N2O13/c1-5-9-13-17-21-25-29-33-37-41-49(65)61-53-58(74-52(68)44-40-36-32-28-24-20-16-12-8-4)56(48(46-64)71-59(53)70)75-60-54(62-50(66)42-38-34-30-26-22-18-14-10-6-2)57(55(69)47(45-63)72-60)73-51(67)43-39-35-31-27-23-19-15-11-7-3/h47-48,53-60,63-64,69-70H,5-46H2,1-4H3,(H,61,65)(H,62,66)/t47-,48-,53-,54-,55-,56-,57-,58-,59?,60+/m1/s1