Adenosine 5'-(hydrogen((hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)methyl)phosphonate)
[CAS# 50676-82-9]

Identification

• Name: Adenosine 5'-(hydrogen((hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)methyl)phosphonate)
• Synonyms: [[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Methylphosphonic Acid; [[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Methylphosphonic Acid; [[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Methylphosphonic Acid
• Molecular Formula: C₁₁H₁₉N₅O₁₅P₄
• Molecular Weight: 585.19
• CAS Registry Number: 50676-82-9
• EINECS: 256-707-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)C[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-34(24,25)31-35(26,27)30-33(22,23)4-32(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H,26,27)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
• InChIKey: YBCREBUYVIOBIV-IOSLPCCCSA-N

Properties

• Density: 2.621g/cm³ (Cal.)
• Boiling point: 1036.503°C at 760 mmHg (Cal.)
• Flash point: 580.656°C (Cal.)