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

Systemtic Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3S)-3-acetyloxytetradecanoate Openeye Name: [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3S)-3-acetoxytetradecanoate CAS Name: (3S)-3-acetyloxytetradecanoic 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] (3S)-3-acetyloxytetradecanoate Traditional Name: (3S)-3-acetoxymyristic acid [(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C36H68NO13P MolecularWeight: 753.897781

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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)C)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)C)O

InChI

InChI=1S/C36H68NO13P/c1-4-6-8-10-12-14-16-18-20-22-28(40)24-31(41)37-33-35(34(50-51(44,45)46)30(26-38)48-36(33)43)49-32(42)25-29(47-27(3)39)23-21-19-17-15-13-11-9-7-5-2/h28-30,33-36,38,40,43H,4-26H2,1-3H3,(H,37,41)(H2,44,45,46)/t28-,29+,30-,33-,34-,35-,36-/m1/s1