(S)-N-(1-Methyl-2-phenylethyl)adenosine
[CAS# 38594-97-7]

Identification

• Name: (S)-N-(1-Methyl-2-phenylethyl)adenosine
• Synonyms: (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(1-Methyl-2-Phenyl-Ethyl)Amino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol; (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(1-Methyl-2-Phenylethyl)Amino]-9-Purinyl]Tetrahydrofuran-3,4-Diol; (2R,3S,4R,5R)-2-Methylol-5-[6-[(1-Methyl-2-Phenyl-Ethyl)Amino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₉H₂₃N₅O₄
• Molecular Weight: 385.42
• CAS Registry Number: 38594-97-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)NC(CC4=CC=CC=C4)C
• InChI: 1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11?,13-,15-,16-,19-/m1/s1
• InChIKey: RIRGCFBBHQEQQH-UVCRECLJSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 715.946°C at 760 mmHg (Cal.)
• Flash point: 386.791°C (Cal.)