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

Systemtic Name: [3-diphenoxyphosphoryloxy-2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)oxan-4-yl] 3-undecylhenicosanoate Openeye Name: [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)tetrahydropyran-4-yl] 3-undecylhenicosanoate CAS Name: 3-undecylheneicosanoic 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-undecylhenicosanoate Traditional Name: 3-undecylheneicosanoic acid [5-diphenoxyphosphoryloxy-2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-tetrahydropyran-4-yl] ester Formula: C64H110NO11P MolecularWeight: 1100.532061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)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/C64H110NO11P/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-30-33-38-45-54(44-37-32-29-26-17-14-11-8-5-2)51-60(69)73-63-61(65-59(68)52-55(67)46-39-34-31-27-18-15-12-9-6-3)64(70)72-58(53-66)62(63)76-77(71,74-56-47-40-35-41-48-56)75-57-49-42-36-43-50-57/h35-36,40-43,47-50,54-55,58,61-64,66-67,70H,4-34,37-39,44-46,51-53H2,1-3H3,(H,65,68)