[(2R)-1-[[(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-3-Hexadecanoyloxypropan-2-Yl] (Z)-Octadec-9-Enoate
[CAS# 130466-13-6]

Identification

• Name: [(2R)-1-[[(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-3-Hexadecanoyloxypropan-2-Yl] (Z)-Octadec-9-Enoate
• Synonyms: [(1R)-1-[[[(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-Hexadecanoyloxy-Ethyl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [(1R)-1-[[[(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxymethyl]-2-(1-Oxohexadecoxy)Ethyl] Ester; (Z)-Octadec-9-Enoic Acid [(1R)-1-[[[(2S,3S,5R)-3-Azido-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-Hexadecanoyloxy-Ethyl] Ester
• Molecular Formula: C₄₇H₈₂N₅O₁₁P
• Molecular Weight: 924.17
• CAS Registry Number: 130466-13-6
• SMILES: [C@@H]2(N1C(NC(C(=C1)C)=O)=O)O[C@H](CO[P](OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)O)[C@H](C2)N=[N+]=[N-]
• InChI: 1S/C47H82N5O11P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-45(54)62-40(36-59-44(53)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-60-64(57,58)61-38-42-41(50-51-48)34-43(63-42)52-35-39(3)46(55)49-47(52)56/h18-19,35,40-43H,4-17,20-34,36-38H2,1-3H3,(H,57,58)(H,49,55,56)/b19-18-/t40-,41+,42-,43-/m1/s1
• InChIKey: GSUJZGMYSDIRCY-MGZBFPESSA-N