N(6)-Methyl-3'-Deoxy-5'-Adenylic Acid
[CAS# 4362-94-1]

Identification

• Name: N(6)-Methyl-3'-Deoxy-5'-Adenylic Acid
• Synonyms: [(2S,4R,5R)-4-Hydroxy-5-(6-Methylaminopurin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2S,4R,5R)-4-Hydroxy-5-(6-Methylamino-9-Purinyl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; N(6)-Methyl-3'-Deoxy-5'-Adenylic Acid
• Molecular Formula: C₁₁H₁₆N₅O₆P
• Molecular Weight: 345.25
• CAS Registry Number: 4362-94-1
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C(=NC=N3)NC
• InChI: 1S/C11H16N5O6P/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(17)2-6(22-11)3-21-23(18,19)20/h4-7,11,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,11+/m0/s1
• InChIKey: XDAJGRLYHTUJCV-MVKOHCKWSA-N

Properties

• Density: 1.967g/cm³ (Cal.)
• Boiling point: 728.282°C at 760 mmHg (Cal.)
• Flash point: 394.251°C (Cal.)