[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3R)-3-decanoyloxytetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3R)-3-decanoyloxytetradecanoate Openeye Name: [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3R)-3-decanoyloxytetradecanoate CAS Name: (3R)-3-(1-oxodecoxy)tetradecanoic acid [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3R)-3-decanoyloxytetradecanoate Traditional Name: (3R)-3-capryloxymyristic acid [(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C44H84NO13P MolecularWeight: 866.110421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1O)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)O

InChI

InChI=1S/C44H84NO13P/c1-4-7-10-13-16-18-21-23-26-29-35(47)32-38(48)45-41-43(42(58-59(52,53)54)37(34-46)56-44(41)51)57-40(50)33-36(30-27-24-22-19-17-14-11-8-5-2)55-39(49)31-28-25-20-15-12-9-6-3/h35-37,41-44,46-47,51H,4-34H2,1-3H3,(H,45,48)(H2,52,53,54)/t35-,36-,37-,41-,42-,43-,44-/m1/s1