[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl] (3R)-3-Hydroxytetradecanoate
[CAS# 108636-29-9]

Identification

• Name: [(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl] (3R)-3-Hydroxytetradecanoate
• Synonyms: [(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] (3R)-3-Hydroxytetradecanoate; (3R)-3-Hydroxytetradecanoic Acid [(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl] Ester; (3R)-3-Hydroxymyristic Acid [(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₁H₅₃N₃O₁₉P₂
• Molecular Weight: 833.72
• CAS Registry Number: 108636-29-9
• SMILES: [C@H]1(NC(=O)C)[C@H](O[C@@H]([C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC)CO)O[P](O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]3O)(=O)O)(=O)O
• InChI: 1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1
• InChIKey: TZSJGZGYQDNRRX-MPLCHSTDSA-N

Properties

• Density: 1.508g/cm³ (Cal.)