[(3R)-1-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl]oxy-1-oxidanylidene-tetradecan-3-yl] pentadecanoate

Systemtic Name: [(3R)-1-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl]oxy-1-oxidanylidene-tetradecan-3-yl] pentadecanoate Openeye Name: [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-oxo-ethyl]dodecyl] pentadecanoate CAS Name: pentadecanoic acid [(3R)-1-[[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-5-phosphonooxy-4-oxanyl]oxy]-1-oxotetradecan-3-yl] ester IUPAC Name: [(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] pentadecanoate Traditional Name: pentadecanoic acid [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-keto-ethyl]dodecyl] ester Formula: C49H94NO13P MolecularWeight: 936.243321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)O)NC(=O)C[C@@H](CCCCCCCCCCC)O

InChI

InChI=1S/C49H94NO13P/c1-4-7-10-13-16-19-20-21-24-27-30-33-36-44(54)60-41(35-32-29-26-23-18-15-12-9-6-3)38-45(55)62-48-46(49(56)61-42(39-51)47(48)63-64(57,58)59)50-43(53)37-40(52)34-31-28-25-22-17-14-11-8-5-2/h40-42,46-49,51-52,56H,4-39H2,1-3H3,(H,50,53)(H2,57,58,59)/t40-,41-,42-,46-,47-,48-,49-/m1/s1