[5-[(2-fluoranyl-3-oxidanyl-tetradecanoyl)amino]-2-(hydroxymethyl)-6-oxidanyl-3-phosphonooxy-oxan-4-yl] 3-tetradecoxytetradecanoate

Systemtic Name: [5-[(2-fluoranyl-3-oxidanyl-tetradecanoyl)amino]-2-(hydroxymethyl)-6-oxidanyl-3-phosphonooxy-oxan-4-yl] 3-tetradecoxytetradecanoate Openeye Name: [3-[(2-fluoro-3-hydroxy-tetradecanoyl)amino]-2-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-tetrahydropyran-4-yl] 3-tetradecoxytetradecanoate CAS Name: 3-tetradecoxytetradecanoic acid [3-[(2-fluoro-3-hydroxy-1-oxotetradecyl)amino]-2-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [3-[(2-fluoro-3-hydroxytetradecanoyl)amino]-2-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-4-yl] 3-tetradecoxytetradecanoate Traditional Name: 3-myristyloxymyristic acid [3-[(2-fluoro-3-hydroxy-tetradecanoyl)amino]-2-hydroxy-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C48H93FNO12P MolecularWeight: 926.223684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)C(C(CCCCCCCCCCC)O)F

Isomeric SMILES

CCCCCCCCCCCCCCOC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)C(C(CCCCCCCCCCC)O)F

InChI

InChI=1S/C48H93FNO12P/c1-4-7-10-13-16-19-20-21-24-27-30-33-36-59-39(34-31-28-25-22-17-14-11-8-5-2)37-42(53)61-46-44(48(55)60-41(38-51)45(46)62-63(56,57)58)50-47(54)43(49)40(52)35-32-29-26-23-18-15-12-9-6-3/h39-41,43-46,48,51-52,55H,4-38H2,1-3H3,(H,50,54)(H2,56,57,58)