(2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminoimidazo[4,5-c]Pyridin-1-Yl)-4-Hydroxyoxolan-2-Yl]Methylsulfanyl]Butanoic Acid
[CAS# 110880-45-0]

Identification

• Name: (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminoimidazo[4,5-c]Pyridin-1-Yl)-4-Hydroxyoxolan-2-Yl]Methylsulfanyl]Butanoic Acid
• Synonyms: (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid; (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methylthio]Butanoic Acid; (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methylthio]Butyric Acid
• Molecular Formula: C₁₅H₂₁N₅O₄S
• Molecular Weight: 367.42
• CAS Registry Number: 110880-45-0
• SMILES: [C@@H]1(CSCC[C@@H](C(O)=O)N)C[C@@H](O)[C@@H](O1)[N]2C=NC3=C2C=CN=C3N
• InChI: 1S/C15H21N5O4S/c16-9(15(22)23)2-4-25-6-8-5-11(21)14(24-8)20-7-19-12-10(20)1-3-18-13(12)17/h1,3,7-9,11,14,21H,2,4-6,16H2,(H2,17,18)(H,22,23)/t8-,9-,11+,14+/m0/s1
• InChIKey: QJGGZPIWCXHXGB-HFAYUQKSSA-N

Properties

• Density: 1.708g/cm³ (Cal.)
• Boiling point: 743.122°C at 760 mmHg (Cal.)
• Flash point: 403.226°C (Cal.)