[2-(hydroxymethyl)-5-(3-oxidanyltetradecanoylamino)-6-phosphonooxy-3-tetradecanoyloxy-oxan-4-yl] 3-oxidanyltetradecanoate

Systemtic Name: [2-(hydroxymethyl)-5-(3-oxidanyltetradecanoylamino)-6-phosphonooxy-3-tetradecanoyloxy-oxan-4-yl] 3-oxidanyltetradecanoate Openeye Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-3-tetradecanoyloxy-tetrahydropyran-4-yl] 3-hydroxytetradecanoate CAS Name: 3-hydroxytetradecanoic acid [2-(hydroxymethyl)-5-[(3-hydroxy-1-oxotetradecyl)amino]-3-(1-oxotetradecoxy)-6-phosphonooxy-4-oxanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-3-tetradecanoyloxyoxan-4-yl] 3-hydroxytetradecanoate Traditional Name: 3-hydroxymyristic acid [5-(3-hydroxytetradecanoylamino)-2-methylol-6-phosphonooxy-3-tetradecanoyloxy-tetrahydropyran-4-yl] ester Formula: C48H92NO13P MolecularWeight: 922.216741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(OC(C(C1OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)OP(=O)(O)O)CO

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(OC(C(C1OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)OP(=O)(O)O)CO

InChI

InChI=1S/C48H92NO13P/c1-4-7-10-13-16-19-20-23-26-29-32-35-43(54)60-46-41(38-50)59-48(62-63(56,57)58)45(49-42(53)36-39(51)33-30-27-24-21-17-14-11-8-5-2)47(46)61-44(55)37-40(52)34-31-28-25-22-18-15-12-9-6-3/h39-41,45-48,50-52H,4-38H2,1-3H3,(H,49,53)(H2,56,57,58)