Cytidylyl(5'.3')cytidylyl(5'.3')adenosine
[CAS# 3128-37-8]

Identification

• Name: Cytidylyl(5'.3')cytidylyl(5'.3')adenosine
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-4-Hydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-[[(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₂₈H₃₇N₁₁O₁₈P₂
• Molecular Weight: 877.61
• CAS Registry Number: 3128-37-8
• EINECS: 221-513-8
• SMILES: [C@H]7([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@H](O[P](OC[C@@H]4[C@H]([C@@H](O)[C@H](N3C(N=C(C=C3)N)=O)O4)O[P](OC[C@H]6O[C@@H](N5C(N=C(C=C5)N)=O)[C@@H]([C@@H]6O)O)(=O)O)(=O)O)[C@H](O7)CO)O
• InChI: 1S/C28H37N11O18P2/c29-13-1-3-37(27(45)35-13)24-17(42)16(41)11(54-24)6-51-58(47,48)57-21-12(55-25(19(21)44)38-4-2-14(30)36-28(38)46)7-52-59(49,50)56-20-10(5-40)53-26(18(20)43)39-9-34-15-22(31)32-8-33-23(15)39/h1-4,8-12,16-21,24-26,40-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,35,45)(H2,30,36,46)(H2,31,32,33)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,24-,25-,26-/m1/s1
• InChIKey: VZJYWZRAHCUTCH-FIVCZYLNSA-N

Properties

• Density: 2.284g/cm³ (Cal.)
• Boiling point: 1240.764°C at 760 mmHg (Cal.)
• Flash point: 704.188°C (Cal.)