1 beta-Arabinofuranosylcytosine 5'-Diphosphate-1,2-Diolein
[CAS# 83214-12-4]

Identification

• Name: 1 beta-Arabinofuranosylcytosine 5'-Diphosphate-1,2-Diolein
• Synonyms: [3-[[[5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-[(E)-Octadec-9-Enoyl]Oxy-Propyl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [3-[[[5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-[(E)-1-Oxooctadec-9-Enoxy]Propyl] Ester; (E)-Octadec-9-Enoic Acid [3-[[[5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-[(E)-Octadec-9-Enoyl]Oxy-Propyl] Ester
• Molecular Formula: C₄₈H₈₅N₃O₁₅P₂
• Molecular Weight: 1006.16
• CAS Registry Number: 83214-12-4
• SMILES: C(O[P](O[P](OCC(OC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC)(=O)O)(=O)O)C2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
• InChI: 1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+
• InChIKey: WVVFFOKRFKIBHD-XPWSMXQVSA-N