[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl] Hydrogen Phosphate
[CAS# 1062-98-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₇N₅O₁₆P₄
• Molecular Weight: 587.16
• CAS Registry Number: 1062-98-2
• SMILES: [C@H]3([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@H](O)[C@H](O3)CO[P](O[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)(=O)O)O
• InChI: 1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: WWMWAMFHUSTZTA-KQYNXXCUSA-N

Properties

• Density: 2.747g/cm³ (Cal.)
• Boiling point: 1020.725°C at 760 mmHg (Cal.)
• Flash point: 571.114°C (Cal.)