1 beta-D-Arabinofuranosylcytosine 5'-Diphosphate-L-1,2 Dipalmitin
[CAS# 63357-80-2]

Identification

• Name: 1 beta-D-Arabinofuranosylcytosine 5'-Diphosphate-L-1,2 Dipalmitin
• Synonyms: [3-[[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Hexadecanoate; Hexadecanoic Acid [3-[[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [3-[[[(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hexadecanoyloxy-Propyl] Ester
• Molecular Formula: C₄₄H₈₁N₃O₁₅P₂
• Molecular Weight: 954.08
• CAS Registry Number: 63357-80-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36?,37-,41-,42+,43-/m1/s1
• InChIKey: ITYHVANGBZMQML-AAUVIOTLSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 951.609°C at 760 mmHg (Cal.)
• Flash point: 529.314°C (Cal.)