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

Systemtic Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-oxidanyl-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3R)-3-tridecanoyloxytetradecanoate Openeye Name: [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3R)-3-tridecanoyloxytetradecanoate CAS Name: (3R)-3-(1-oxotridecoxy)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-tridecanoyloxytetradecanoate Traditional Name: (3R)-3-tridecanoyloxymyristic acid [(2R,3R,4R,5S,6R)-2-hydroxy-3-[[(3R)-3-hydroxytetradecanoyl]amino]-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C47H90NO13P MolecularWeight: 908.190161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC(=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/C47H90NO13P/c1-4-7-10-13-16-19-22-25-28-31-34-42(52)58-39(33-30-27-24-21-18-15-12-9-6-3)36-43(53)60-46-44(47(54)59-40(37-49)45(46)61-62(55,56)57)48-41(51)35-38(50)32-29-26-23-20-17-14-11-8-5-2/h38-40,44-47,49-50,54H,4-37H2,1-3H3,(H,48,51)(H2,55,56,57)/t38-,39-,40-,44-,45-,46-,47-/m1/s1