[(2R,3S,5R)-5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 72052-96-1]

Identification

• Name: [(2R,3S,5R)-5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-2-Keto-S-Triazin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₈H₁₅N₄O₁₃P₃
• Molecular Weight: 468.15
• CAS Registry Number: 72052-96-1
• SMILES: [C@H]2(N1C(N=C(N=C1)N)=O)C[C@H](O)[C@H](O2)CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O
• InChI: 1S/C8H15N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H,18,19)(H,20,21)(H2,9,11,14)(H2,15,16,17)/t4-,5+,6+/m0/s1
• InChIKey: GCYYBBDIYHRTCW-KVQBGUIXSA-N

Properties

• Density: 2.542g/cm³ (Cal.)
• Boiling point: 803.197°C at 760 mmHg (Cal.)
• Flash point: 439.558°C (Cal.)