[3-[[(2S)-5-(4-Amino-2-Oxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-2-[(Z)-Octadec-9-Enoyl]Oxypropyl] (Z)-Octadec-9-Enoate
[CAS# 147556-77-2]

Identification

• Name: [3-[[(2S)-5-(4-Amino-2-Oxopyrimidin-1-Yl)Oxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-2-[(Z)-Octadec-9-Enoyl]Oxypropyl] (Z)-Octadec-9-Enoate
• Synonyms: [3-[[(2S)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-2-[(Z)-Octadec-9-Enoyl]Oxy-Propyl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [3-[[(2S)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-2-[(Z)-1-Oxooctadec-9-Enoxy]Propyl] Ester; (Z)-Octadec-9-Enoic Acid [3-[[(2S)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-2-[(Z)-Octadec-9-Enoyl]Oxy-Propyl] Ester
• Molecular Formula: C₄₈H₈₄N₃O₁₀P
• Molecular Weight: 894.18
• CAS Registry Number: 147556-77-2
• SMILES: [C@@H]2(OC(N1C(=O)N=C(N)C=C1)CC2)CO[P](OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC)(=O)O
• InChI: 1S/C48H84N3O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(52)57-39-43(61-47(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-59-62(55,56)58-40-42-35-36-45(60-42)51-38-37-44(49)50-48(51)54/h17-20,37-38,42-43,45H,3-16,21-36,39-41H2,1-2H3,(H,55,56)(H2,49,50,54)/b19-17-,20-18-/t42-,43?,45?/m0/s1
• InChIKey: FYWMPROSVIHQFQ-XVSOQNEDSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 879.907°C at 760 mmHg (Cal.)
• Flash point: 485.95°C (Cal.)