[5-diphenoxyphosphoryloxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [5-diphenoxyphosphoryloxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [5-diphenoxyphosphoryloxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [5-diphenoxyphosphoryloxy-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [5-diphenoxyphosphoryloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid (5-diphenoxyphosphoryloxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C46H73O12P MolecularWeight: 849.038381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(C(C(O1)CO)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(C(C(O1)CO)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)O)O

InChI

InChI=1S/C46H73O12P/c1-3-5-7-9-11-13-14-16-18-20-28-34-41(48)53-39(33-23-19-17-15-12-10-8-6-4-2)35-42(49)55-46-44(51)43(50)45(40(36-47)54-46)58-59(52,56-37-29-24-21-25-30-37)57-38-31-26-22-27-32-38/h21-22,24-27,29-32,39-40,43-47,50-51H,3-20,23,28,33-36H2,1-2H3