[(3R)-1-[(2R,3R,4R,5S)-6-Fluoro-5-Hydroxy-2-[[(3S)-3-Hydroxytetradecanoyl]Amino]-1-Oxo-4-Phosphonooxyhexan-3-Yl]Oxy-1-Oxotetradecan-3-Yl] Tetradecanoate
[CAS# 138527-42-1]

Identification

• Name: [(3R)-1-[(2R,3R,4R,5S)-6-Fluoro-5-Hydroxy-2-[[(3S)-3-Hydroxytetradecanoyl]Amino]-1-Oxo-4-Phosphonooxyhexan-3-Yl]Oxy-1-Oxotetradecan-3-Yl] Tetradecanoate
• Synonyms: [(1R)-1-[2-[(1R,2R,3S)-4-Fluoro-3-Hydroxy-1-[(1R)-1-[[(3S)-3-Hydroxytetradecanoyl]Amino]-2-Oxo-Ethyl]-2-Phosphonooxy-Butoxy]-2-Oxo-Ethyl]Dodecyl] Tetradecanoate; Tetradecanoic Acid [(1R)-1-[2-[(1R,2R,3S)-4-Fluoro-3-Hydroxy-1-[(1R)-1-[[(3S)-3-Hydroxy-1-Oxotetradecyl]Amino]-2-Oxoethyl]-2-Phosphonooxybutoxy]-2-Oxoethyl]Dodecyl] Ester; Myristic Acid [(1R)-1-[2-[(1R,2R,3S)-4-Fluoro-3-Hydroxy-1-[(1R)-1-[[(3S)-3-Hydroxytetradecanoyl]Amino]-2-Keto-Ethyl]-2-Phosphonooxy-Butoxy]-2-Keto-Ethyl]Dodecyl] Ester
• Molecular Formula: C₄₈H₉₁FNO₁₂P
• Molecular Weight: 924.22
• CAS Registry Number: 138527-42-1
• SMILES: [C@@H](O)(CC(N[C@H]([C@@H](OC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)[C@H](O[P](O)(=O)O)[C@@H](CF)O)C=O)=O)CCCCCCCCCCC
• InChI: 1S/C48H91FNO12P/c1-4-7-10-13-16-19-20-23-26-29-32-35-45(55)60-41(34-31-28-25-22-18-15-12-9-6-3)37-46(56)61-47(48(43(53)38-49)62-63(57,58)59)42(39-51)50-44(54)36-40(52)33-30-27-24-21-17-14-11-8-5-2/h39-43,47-48,52-53H,4-38H2,1-3H3,(H,50,54)(H2,57,58,59)/t40-,41+,42-,43+,47+,48+/m0/s1
• InChIKey: QBFTXZCXZPHHNY-IAXSMKRXSA-N

Properties

• Density: 1.076g/cm³ (Cal.)