[5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-allyloxy-3-[(3-benzyloxycarbonyloxy-2-fluoro-tetradecanoyl)amino]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [5-[(2-fluoro-1-oxo-3-phenylmethoxycarbonyloxytetradecyl)amino]-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [5-[(2-fluoro-3-phenylmethoxycarbonyloxytetradecanoyl)amino]-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-allyloxy-3-[(3-carbobenzoxyoxy-2-fluoro-tetradecanoyl)amino]-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C59H100FNO12 MolecularWeight: 1034.423203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC2=CC=CC=C2)F

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC2=CC=CC=C2)F

InChI

InChI=1S/C59H100FNO12/c1-5-9-12-15-18-21-22-25-28-31-37-42-51(63)70-48(40-35-29-26-23-19-16-13-10-6-2)44-52(64)73-56-54(58(68-43-8-4)71-50(45-62)55(56)65)61-57(66)53(60)49(41-36-30-27-24-20-17-14-11-7-3)72-59(67)69-46-47-38-33-32-34-39-47/h8,32-34,38-39,48-50,53-56,58,62,65H,4-7,9-31,35-37,40-46H2,1-3H3,(H,61,66)