(1S,6R,8R,9R)-3-Hydroxy-8-Imidazo[2,1-f]Purin-3-Yl-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
[CAS# 38806-37-0]

Identification

• Name: (1S,6R,8R,9R)-3-Hydroxy-8-Imidazo[2,1-f]Purin-3-Yl-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Synonyms: (1S,6R,8R,9R)-3-Hydroxy-8-(3-Imidazo[2,1-F]Purinyl)-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-3-Hydroxy-8-Imidazo[2,1-F]Purin-3-Yl-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; 3-(3,5-O-Phosphinico-Beta-D-Ribofuranosyl)-3H-Imidazo(2,1-I) Purine
• Molecular Formula: C₁₂H₁₂N₅O₆P
• Molecular Weight: 353.23
• CAS Registry Number: 38806-37-0
• SMILES: [C@@H]15O[P](OC[C@H]1O[C@@H]([N]2C4=C(N=C2)C3=NC=C[N]3C=N4)[C@@H]5O)(=O)O
• InChI: 1S/C12H12N5O6P/c18-8-9-6(3-21-24(19,20)23-9)22-12(8)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18H,3H2,(H,19,20)/t6-,8-,9-,12-/m1/s1
• InChIKey: YQXDYNIFOXNXEP-WOUKDFQISA-N

Properties

• Density: 2.344g/cm³ (Cal.)