[3-diphenoxyphosphoryloxy-2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)oxan-4-yl] 3-nonylheptadecanoate

Systemtic Name: [3-diphenoxyphosphoryloxy-2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)oxan-4-yl] 3-nonylheptadecanoate Openeye Name: [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)tetrahydropyran-4-yl] 3-nonylheptadecanoate CAS Name: 3-nonylheptadecanoic acid [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-[(3-hydroxy-1-oxotetradecyl)amino]-4-oxanyl] ester IUPAC Name: [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-nonylheptadecanoate Traditional Name: 3-nonylheptadecanoic acid [5-diphenoxyphosphoryloxy-2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-tetrahydropyran-4-yl] ester Formula: C58H98NO11P MolecularWeight: 1016.372581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CO)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CO)O)NC(=O)CC(CCCCCCCCCCC)O

InChI

InChI=1S/C58H98NO11P/c1-4-7-10-13-16-18-19-20-22-24-27-32-39-48(38-31-26-23-15-12-9-6-3)45-54(63)67-57-55(59-53(62)46-49(61)40-33-28-25-21-17-14-11-8-5-2)58(64)66-52(47-60)56(57)70-71(65,68-50-41-34-29-35-42-50)69-51-43-36-30-37-44-51/h29-30,34-37,41-44,48-49,52,55-58,60-61,64H,4-28,31-33,38-40,45-47H2,1-3H3,(H,59,62)