5'-Adenylic Acid Anhydride With (Dichloromethylene)Bis[Phosphonic Acid] (1:1)
[CAS# 81336-74-5]

Identification

• Name: 5'-Adenylic Acid Anhydride With (Dichloromethylene)Bis[Phosphonic Acid] (1:1)
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-(Dichlorooxyphosphorylmethyl)Phosphinic Acid; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-(Dichlorooxyphosphorylmethyl)Phosphinic Acid; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-(Dichlorooxyphosphorylmethyl)Phosphinic Acid
• Molecular Formula: C₁₁H₁₆Cl₂N₅O₁₂P₃
• Molecular Weight: 574.10
• CAS Registry Number: 81336-74-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](=O)(O)C[P](OCl)(OCl)=O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H16Cl2N5O12P3/c12-28-32(23,29-13)4-31(21,22)30-33(24,25)26-1-5-7(19)8(20)11(27-5)18-3-17-6-9(14)15-2-16-10(6)18/h2-3,5,7-8,11,19-20H,1,4H2,(H,21,22)(H,24,25)(H2,14,15,16)/t5-,7-,8-,11-/m1/s1
• InChIKey: MYVOXUCRWLLKSA-IOSLPCCCSA-N

Properties

• Density: 2.403g/cm³ (Cal.)
• Boiling point: 861.634°C at 760 mmHg (Cal.)
• Flash point: 474.899°C (Cal.)