[(2R)-3-[[[(2R,3S,4S,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
[CAS# 78679-19-3]

Identification

• Name: [(2R)-3-[[[(2R,3S,4S,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hexadecanoyloxypropyl] Hexadecanoate
• Synonyms: [(2R)-3-[[[(2R,3S,4S,5R)-5-(6-Aminopurin-9-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-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [(2R)-3-[[[(2R,3S,4S,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Ester
• Molecular Formula: C₄₅H₈₁N₅O₁₄P₂
• Molecular Weight: 978.11
• CAS Registry Number: 78679-19-3
• 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(N=C2)C(=NC=N3)N
• InChI: 1S/C45H81N5O14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(51)59-31-36(62-39(52)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-60-65(55,56)64-66(57,58)61-33-37-41(53)42(54)45(63-37)50-35-49-40-43(46)47-34-48-44(40)50/h34-37,41-42,45,53-54H,3-33H2,1-2H3,(H,55,56)(H,57,58)(H2,46,47,48)/t36-,37-,41-,42+,45-/m1/s1
• InChIKey: UYKVHYLXQFWVIJ-MFNXJSCDSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 997.621°C at 760 mmHg (Cal.)
• Flash point: 557.141°C (Cal.)