(2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminopyrrolo[2,3-d]Pyrimidin-7-Yl)-4-Hydroxyoxolan-2-Yl]Methylsulfanyl]Butanoic Acid
[CAS# 110880-46-1]

Identification

• Name: (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminopyrrolo[2,3-d]Pyrimidin-7-Yl)-4-Hydroxyoxolan-2-Yl]Methylsulfanyl]Butanoic Acid
• Synonyms: (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid; (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Amino-7-Pyrrolo[2,3-D]Pyrimidinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methylthio]Butanoic Acid; (2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methylthio]Butyric Acid
• Molecular Formula: C₁₅H₂₁N₅O₄S
• Molecular Weight: 367.42
• CAS Registry Number: 110880-46-1
• SMILES: [C@@H]1(O)C[C@H](O[C@H]1[N]3C2=C(C(=NC=N2)N)C=C3)CSCC[C@@H](C(=O)O)N
• InChI: 1S/C15H21N5O4S/c16-10(15(22)23)2-4-25-6-8-5-11(21)14(24-8)20-3-1-9-12(17)18-7-19-13(9)20/h1,3,7-8,10-11,14,21H,2,4-6,16H2,(H,22,23)(H2,17,18,19)/t8-,10-,11+,14+/m0/s1
• InChIKey: XMLLGYTYKPQIRW-HJUHTLPRSA-N

Properties

• Density: 1.708g/cm³ (Cal.)
• Boiling point: 730.625°C at 760 mmHg (Cal.)
• Flash point: 395.668°C (Cal.)