[(2R)-6-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Hexan-2-Yl] (2S)-3,3,3-Trifluoro-2-Methoxy-2-Phenylpropanoate
[CAS# 130007-50-0]

Identification

• Name: [(2R)-6-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Hexan-2-Yl] (2S)-3,3,3-Trifluoro-2-Methoxy-2-Phenylpropanoate
• Synonyms: [(1R)-5-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)-1-Methyl-Pentyl] (2S)-3,3,3-Trifluoro-2-Methoxy-2-Phenyl-Propanoate; (2S)-3,3,3-Trifluoro-2-Methoxy-2-Phenylpropanoic Acid [(1R)-5-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)-1-Methylpentyl] Ester; (2S)-3,3,3-Trifluoro-2-Methoxy-2-Phenyl-Propionic Acid [(1R)-5-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)-1-Methyl-Pentyl] Ester
• Molecular Formula: C₂₃H₂₇F₃N₄O₅
• Molecular Weight: 496.49
• CAS Registry Number: 130007-50-0
• SMILES: [C@](C1=CC=CC=C1)(C(=O)O[C@@H](CCCCN3C(N(C2=C([N](C=N2)C)C3=O)C)=O)C)(C(F)(F)F)OC
• InChI: 1S/C23H27F3N4O5/c1-15(35-20(32)22(34-4,23(24,25)26)16-11-6-5-7-12-16)10-8-9-13-30-19(31)17-18(27-14-28(17)2)29(3)21(30)33/h5-7,11-12,14-15H,8-10,13H2,1-4H3/t15-,22+/m1/s1
• InChIKey: UGCLXABBIBEIAJ-QRQCRPRQSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 650.972°C at 760 mmHg (Cal.)
• Flash point: 347.496°C (Cal.)