[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
[CAS# 2092-65-1]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₀P₂
• Molecular Weight: 427.20
• CAS Registry Number: 2092-65-1
• EINECS: 218-249-0
• SMILES: C1=NC3=C([N]1C2OC(CO[P](O[P](O)(=O)O)(=O)O)C(C2O)O)N=CN=C3N
• InChI: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
• InChIKey: XTWYTFMLZFPYCI-UHFFFAOYSA-N

Properties

• Density: 2.498g/cm³ (Cal.)
• Boiling point: 877.671°C at 760 mmHg (Cal.)
• Flash point: 484.598°C (Cal.)