[2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[(3-hydroxy-1-oxotetradecyl)amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C48H92NO13P MolecularWeight: 922.216741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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