6-[[(2S,6S)-6-(1,3-Dimethyl-2,6-Dioxopurin-9-Yl)-5-Oxo-2H-Pyran-2-Yl]Methoxy]Hexanoic Acid
[CAS# 107838-94-8]

Identification

• Name: 6-[[(2S,6S)-6-(1,3-Dimethyl-2,6-Dioxopurin-9-Yl)-5-Oxo-2H-Pyran-2-Yl]Methoxy]Hexanoic Acid
• Synonyms: 6-[[(2S,6S)-6-(1,3-Dimethyl-2,6-Dioxo-Purin-9-Yl)-5-Oxo-2H-Pyran-2-Yl]Methoxy]Hexanoic Acid; 6-[[(2S,6S)-6-(1,3-Dimethyl-2,6-Dioxo-9-Purinyl)-5-Oxo-2H-Pyran-2-Yl]Methoxy]Hexanoic Acid; 6-[[(2S,6S)-6-(2,6-Diketo-1,3-Dimethyl-Purin-9-Yl)-5-Keto-2H-Pyran-2-Yl]Methoxy]Hexanoic Acid
• Molecular Formula: C₁₉H₂₄N₄O₇
• Molecular Weight: 420.42
• CAS Registry Number: 107838-94-8
• SMILES: [C@@H]1(COCCCCCC(=O)O)C=CC([C@H](O1)[N]2C=NC3=C2N(C(N(C3=O)C)=O)C)=O
• InChI: 1S/C19H24N4O7/c1-21-16-15(17(27)22(2)19(21)28)20-11-23(16)18-13(24)8-7-12(30-18)10-29-9-5-3-4-6-14(25)26/h7-8,11-12,18H,3-6,9-10H2,1-2H3,(H,25,26)/t12-,18-/m0/s1
• InChIKey: BBNUVZSDGRQNJJ-SGTLLEGYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 731.28°C at 760 mmHg (Cal.)
• Flash point: 396.064°C (Cal.)