Cytidylyl-Cytidylyl-Adenosine
[CAS# 2866-39-9]

Identification

• Name: Cytidylyl-Cytidylyl-Adenosine
• Synonyms: [2-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl] Phosphate; Phosphoric Acid [2-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Ethoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl] Ester; Phosphoric Acid [2-[(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl] Ester
• Molecular Formula: C₂₈H₃₇N₁₁O₁₈P₂
• Molecular Weight: 877.61
• CAS Registry Number: 2866-39-9
• SMILES: [C@H]5(O[C@H](O[P](O[P](OCC[C@H]2O[C@@H](N1C(=O)N=C(N)C=C1)[C@H](O)[C@@H]2O)(=O)O)(OC[C@H]4O[C@@H](N3C(=O)N=C(N)C=C3)[C@H](O)[C@@H]4O)=O)[C@@H](O)[C@H]5O)[N]6C7=C(N=C6)C(=NC=N7)N
• InChI: 1S/C28H37N11O18P2/c29-12-1-4-37(27(46)35-12)23-17(42)15(40)10(53-23)3-6-51-58(48,49)57-59(50,52-7-11-16(41)18(43)24(54-11)38-5-2-13(30)36-28(38)47)56-26-20(45)19(44)25(55-26)39-9-34-14-21(31)32-8-33-22(14)39/h1-2,4-5,8-11,15-20,23-26,40-45H,3,6-7H2,(H,48,49)(H2,29,35,46)(H2,30,36,47)(H2,31,32,33)/t10-,11-,15-,16-,17-,18-,19-,20+,23-,24-,25-,26-,59?/m1/s1
• InChIKey: YVAGUMIBZXZKRJ-VYKNSILMSA-N

Properties

• Density: 2.284g/cm³ (Cal.)
• Boiling point: 1206.79°C at 760 mmHg (Cal.)
• Flash point: 683.642°C (Cal.)