7-(3,5-O-Phosphinico-beta-D-Ribofuranosyl)-7H-Pyrrolo[2,3-d]Pyrimidin-4-Amine
[CAS# 16719-36-1]

Identification

• Name: 7-(3,5-O-Phosphinico-beta-D-Ribofuranosyl)-7H-Pyrrolo[2,3-d]Pyrimidin-4-Amine
• Synonyms: 8-(4-Amino-7-Pyrrolo[3,2-E]Pyrimidinyl)-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; 8-(4-Aminopyrrolo[3,2-E]Pyrimidin-7-Yl)-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; Nci60_000354
• Molecular Formula: C₁₁H₁₃N₄O₆P
• Molecular Weight: 328.22
• CAS Registry Number: 16719-36-1
• SMILES: C2=CC1=C(N=CN=C1[N]2C3C(C4C(O3)CO[P](O4)(=O)O)O)N
• InChI: 1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)
• InChIKey: LCYHXWIEMRESTK-UHFFFAOYSA-N

Properties

• Density: 2.272g/cm³ (Cal.)
• Boiling point: 676.98°C at 760 mmHg (Cal.)
• Flash point: 363.225°C (Cal.)