[(2R)-3-[[[(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-e]Pyrimidin-7-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
[CAS# 78679-20-6]

Identification

• Name: [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-e]Pyrimidin-7-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
• Synonyms: [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-E]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Hexadecanoate; Hexadecanoic Acid [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-Amino-7-Pyrrolo[3,2-E]Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-E]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Ester
• Molecular Formula: C₄₆H₈₂N₄O₁₄P₂
• Molecular Weight: 977.12
• CAS Registry Number: 78679-20-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)O)(=O)O)[N]2C3=C(C=C2)C(=NC=N3)N
• InChI: 1S/C46H82N4O14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(51)59-33-37(62-41(52)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-60-65(55,56)64-66(57,58)61-35-39-42(53)43(54)46(63-39)50-32-31-38-44(47)48-36-49-45(38)50/h31-32,36-37,39,42-43,46,53-54H,3-30,33-35H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,49)/t37-,39-,42-,43+,46-/m1/s1
• InChIKey: QYRBORBXERREBG-DNCZDIPLSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 992.634°C at 760 mmHg (Cal.)
• Flash point: 554.125°C (Cal.)