Fosfadecin
[CAS# 120909-50-4]

Identification

• Name: Fosfadecin
• Synonyms: [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-(3-Methyloxiran-2-Yl)Phosphinic Acid; [[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-(3-Methyl-2-Oxiranyl)Phosphinic Acid; [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-(3-Methyloxiran-2-Yl)Phosphinic Acid
• Molecular Formula: C₁₃H₁₉N₅O₁₀P₂
• Molecular Weight: 467.27
• CAS Registry Number: 120909-50-4
• SMILES: C2=NC1=C(N=CN=C1N)[N]2C4OC(CO[P](O[P](C3OC3C)(O)=O)(O)=O)C(C4O)O
• InChI: 1S/C13H19N5O10P2/c1-5-13(26-5)29(21,22)28-30(23,24)25-2-6-8(19)9(20)12(27-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12-13,19-20H,2H2,1H3,(H,21,22)(H,23,24)(H2,14,15,16)
• InChIKey: XLKKASKVRUMAHE-UHFFFAOYSA-N

Properties

• Density: 2.348g/cm³ (Cal.)
• Boiling point: 840.927°C at 760 mmHg (Cal.)
• Flash point: 462.376°C (Cal.)