N(6)-Methyldeoxyadenosine 5'-Triphosphate
[CAS# 5085-65-4]

Identification

• Name: N(6)-Methyldeoxyadenosine 5'-Triphosphate
• Synonyms: [(2S,4R,5R)-4-Hydroxy-5-(6-Methylaminopurin-9-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-4-Hydroxy-5-(6-Methylamino-9-Purinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-4-Hydroxy-5-(6-Methylaminopurin-9-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₈N₅O₁₂P₃
• Molecular Weight: 505.21
• CAS Registry Number: 5085-65-4
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)NC
• InChI: 1S/C11H18N5O12P3/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(17)2-6(26-11)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-7,11,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H,12,13,14)(H2,18,19,20)/t6-,7+,11+/m0/s1
• InChIKey: ATIKTICAJNFDJT-MVKOHCKWSA-N

Properties

• Density: 2.315g/cm³ (Cal.)
• Boiling point: 891.551°C at 760 mmHg (Cal.)
• Flash point: 492.993°C (Cal.)