9-[(2S,6S)-6-(6-Hydroxyhexoxymethyl)-3-Oxo-6H-Pyran-2-Yl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 107838-98-2]

Identification

• Name: 9-[(2S,6S)-6-(6-Hydroxyhexoxymethyl)-3-Oxo-6H-Pyran-2-Yl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 9-[(2S,6S)-6-(6-Hydroxyhexoxymethyl)-3-Oxo-6H-Pyran-2-Yl]-1,3-Dimethyl-Purine-2,6-Dione; 9-[(2S,6S)-6-(6-Hydroxyhexoxymethyl)-3-Keto-6H-Pyran-2-Yl]-1,3-Dimethyl-Xanthine; 9-(3,6-Dihydro-6-(((6-Hydroxyhexyl)Oxy)Methyl)-3-Oxo-2H-Pyran-2-Yl)-3,9-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione (2R-Cis)-
• Molecular Formula: C₁₉H₂₆N₄O₆
• Molecular Weight: 406.44
• CAS Registry Number: 107838-98-2
• SMILES: [C@@H]3([N]1C=NC2=C1N(C(N(C2=O)C)=O)C)C(C=C[C@H](O3)COCCCCCCO)=O
• InChI: 1S/C19H26N4O6/c1-21-16-15(17(26)22(2)19(21)27)20-12-23(16)18-14(25)8-7-13(29-18)11-28-10-6-4-3-5-9-24/h7-8,12-13,18,24H,3-6,9-11H2,1-2H3/t13-,18-/m0/s1
• InChIKey: FHOFJRKDXZHSEO-UGSOOPFHSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 683.447°C at 760 mmHg (Cal.)
• Flash point: 367.136°C (Cal.)