16-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxyhexadecanoic Acid
[CAS# 128864-45-9]

Identification

• Name: 16-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxyhexadecanoic Acid
• Synonyms: 16-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxyhexadecanoic Acid; 16-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxyhexadecanoic Acid; 16-[[(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxypalmitic Acid
• Molecular Formula: C₂₅H₄₄N₃O₁₀P
• Molecular Weight: 577.61
• CAS Registry Number: 128864-45-9
• SMILES: [C@H]2(N1C(N=C(C=C1)N)=O)[C@@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O)OCCCCCCCCCCCCCCCC(=O)O
• InChI: 1S/C25H44N3O10P/c26-20-15-16-28(25(33)27-20)24-23(32)22(31)19(38-24)18-37-39(34,35)36-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(29)30/h15-16,19,22-24,31-32H,1-14,17-18H2,(H,29,30)(H,34,35)(H2,26,27,33)/t19-,22-,23+,24-/m1/s1
• InChIKey: AYHYONJCFYEXBP-OUJCMCIWSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 769.042°C at 760 mmHg (Cal.)
• Flash point: 418.902°C (Cal.)