[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(3R,4R)-3,4,5-Trihydroxy-2-Oxopentoxy]Phosphoryl] Hydrogen Phosphate
[CAS# 148333-40-8]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(3R,4R)-3,4,5-Trihydroxy-2-Oxopentoxy]Phosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(3R,4R)-3,4,5-Trihydroxy-2-Oxo-Pentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[(3R,4R)-3,4,5-Trihydroxy-2-Oxopentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(3R,4R)-3,4,5-Trihydroxy-2-Keto-Pentoxy]Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₃N₅O₁₄P₂
• Molecular Weight: 559.32
• CAS Registry Number: 148333-40-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OCC(=O)[C@H](O)[C@H](O)CO)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h4-6,8,10-12,15,21-22,24-26H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,8-,10-,11-,12-,15-/m1/s1
• InChIKey: UEWOFAOFTJYWBK-GKILRDIXSA-N

Properties

• Density: 2.242g/cm³ (Cal.)
• Boiling point: 1007.159°C at 760 mmHg (Cal.)
• Flash point: 562.909°C (Cal.)