2'-Deoxyguanosine 3',5'-Diphosphoimidazolide
[CAS# 96886-66-7]

Identification

• Name: 2'-Deoxyguanosine 3',5'-Diphosphoimidazolide
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(Hydroxy-Imidazol-1-Yl-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl]Oxy-Imidazol-1-Yl-Phosphinic Acid; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(Hydroxy-(1-Imidazolyl)Phosphoryl)Oxymethyl]-3-Tetrahydrofuran
• Molecular Formula: C₁₆H₁₉N₉O₈P₂
• Molecular Weight: 527.33
• CAS Registry Number: 96886-66-7
• SMILES: [C@H]2(O[C@@H]([C@@H](O[P](=O)(O)[N]1C=NC=C1)C2)CO[P](=O)(O)[N]3C=NC=C3)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C16H19N9O8P2/c17-16-21-14-13(15(26)22-16)20-9-25(14)12-5-10(33-35(29,30)24-4-2-19-8-24)11(32-12)6-31-34(27,28)23-3-1-18-7-23/h1-4,7-12H,5-6H2,(H,27,28)(H,29,30)(H3,17,21,22,26)/t10-,11+,12+/m0/s1
• InChIKey: ILLHYHLXVIJFBC-QJPTWQEYSA-N

Properties

• Density: 2.138g/cm³ (Cal.)
• Boiling point: 955.412°C at 760 mmHg (Cal.)
• Flash point: 531.614°C (Cal.)