1-beta-D-Arabinofuranosylcytosine 5'-diphosphate-1-O-octadecyl-2-O-palmitoyl-glycerol
[CAS# 103383-67-1]

Identification

• Name: 1-beta-D-Arabinofuranosylcytosine 5'-diphosphate-1-O-octadecyl-2-O-palmitoyl-glycerol
• Synonyms: [1-[[[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-Octadecoxy-Ethyl] Hexadecanoate; Hexadecanoic Acid [1-[[[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-Octadecoxyethyl] Ester; Palmitic Acid [1-[[[[(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-Stearyloxy-Ethyl] Ester
• Molecular Formula: C₄₆H₈₇N₃O₁₄P₂
• Molecular Weight: 968.15
• CAS Registry Number: 103383-67-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OCC(OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C46H87N3O14P2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35-58-36-39(61-42(50)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)37-59-64(54,55)63-65(56,57)60-38-40-43(51)44(52)45(62-40)49-34-33-41(47)48-46(49)53/h33-34,39-40,43-45,51-52H,3-32,35-38H2,1-2H3,(H,54,55)(H,56,57)(H2,47,48,53)/t39?,40-,43-,44+,45-/m1/s1
• InChIKey: VZNJHZQSKLZCNH-JGJFOBQESA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 954.078°C at 760 mmHg (Cal.)
• Flash point: 530.807°C (Cal.)