7-Deaza-2'-Deoxyinosine Triphosphate
[CAS# 136120-28-0]

Identification

• Name: 7-Deaza-2'-Deoxyinosine Triphosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-1H-Pyrrolo[3,2-E]Pyrimidin-7-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-1H-Pyrrolo[3,2-E]Pyrimidin-7-Yl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Keto-1H-Pyrrolo[3,2-E]Pyrimidin-7-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₆N₃O₁₃P₃
• Molecular Weight: 491.18
• CAS Registry Number: 136120-28-0
• SMILES: [C@@H]3(C[C@H]([N]1C2=C(C=C1)C(N=CN2)=O)O[C@@H]3CO[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)O
• InChI: 1S/C11H16N3O13P3/c15-7-3-9(14-2-1-6-10(14)12-5-13-11(6)16)25-8(7)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,5,7-9,15H,3-4H2,(H,20,21)(H,22,23)(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
• InChIKey: QLCZUJVRPNFETQ-DJLDLDEBSA-N

Properties

• Density: 2.372g/cm³ (Cal.)
• Boiling point: 873.125°C at 760 mmHg (Cal.)
• Flash point: 481.849°C (Cal.)