Adenosine 5'-[Hydrogen [[Hydroxy(Phosphonooxy)Phosphinyl]Methyl]Phosphonate]
[CAS# 7292-42-4]

Identification

• Name: Adenosine 5'-[Hydrogen [[Hydroxy(Phosphonooxy)Phosphinyl]Methyl]Phosphonate]
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(Hydroxy-Phosphonooxy-Phosphoryl)Methyl]Phosphinic Acid; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-[(Hydroxy-Phosphonooxyphosphoryl)Methyl]Phosphinic Acid; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-[(Hydroxy-Phosphonooxy-Phosphoryl)Methyl]Phosphinic Acid
• Molecular Formula: C₁₁H₁₈N₅O₁₂P₃
• Molecular Weight: 505.21
• CAS Registry Number: 7292-42-4
• EINECS: 230-723-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)C[P](O[P](=O)(O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
• InChIKey: CAWZRIXWFRFUQB-IOSLPCCCSA-N

Properties

• Density: 2.501g/cm³ (Cal.)
• Boiling point: 968.167°C at 760 mmHg (Cal.)
• Flash point: 539.328°C (Cal.)