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

Systemtic Name: [2-(hydroxymethyl)-5-(3-oxidanyltetradecanoylamino)-6-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-3-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-3-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [2-(hydroxymethyl)-5-[(3-hydroxy-1-oxotetradecyl)amino]-4-[1-oxo-3-(1-oxotetradecoxy)tetradecoxy]-6-phosphonooxy-3-oxanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-3-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [5-(3-hydroxytetradecanoylamino)-2-methylol-6-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-3-yl] ester Formula: C76H144NO16P MolecularWeight: 1358.927421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C76H144NO16P/c1-6-11-16-21-26-31-33-38-43-48-53-58-69(81)88-65(56-51-46-41-36-29-24-19-14-9-4)61-71(83)91-74-67(63-78)90-76(93-94(85,86)87)73(77-68(80)60-64(79)55-50-45-40-35-28-23-18-13-8-3)75(74)92-72(84)62-66(57-52-47-42-37-30-25-20-15-10-5)89-70(82)59-54-49-44-39-34-32-27-22-17-12-7-2/h64-67,73-76,78-79H,6-63H2,1-5H3,(H,77,80)(H2,85,86,87)