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

Systemtic Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3R)-3-undecanoyloxytetradecanoate Openeye Name: [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3R)-3-undecanoyloxytetradecanoate CAS Name: (3R)-3-(1-oxoundecoxy)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-undecanoyloxytetradecanoate Traditional Name: (3R)-3-undecanoyloxymyristic acid [(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C45H86NO13P MolecularWeight: 880.137001

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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)CCCCCCCCCC)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)CCCCCCCCCC)O

InChI

InChI=1S/C45H86NO13P/c1-4-7-10-13-16-19-21-24-27-30-36(48)33-39(49)46-42-44(43(59-60(53,54)55)38(35-47)57-45(42)52)58-41(51)34-37(31-28-25-22-20-17-14-11-8-5-2)56-40(50)32-29-26-23-18-15-12-9-6-3/h36-38,42-45,47-48,52H,4-35H2,1-3H3,(H,46,49)(H2,53,54,55)/t36-,37-,38-,42-,43-,44-,45-/m1/s1