5'-Methylthioinosine
[CAS# 17298-58-7]

Identification

• Name: 5'-Methylthioinosine
• Synonyms: 9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Methylsulfanylmethyl)Tetrahydrofuran-2-Yl]-3H-Purin-6-One; 9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-[(Methylthio)Methyl]-2-Tetrahydrofuranyl]-3H-Purin-6-One; 9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-[(Methylthio)Methyl]Tetrahydrofuran-2-Yl]-3H-Purin-6-One
• Molecular Formula: C₁₁H₁₄N₄O₄S
• Molecular Weight: 298.32
• CAS Registry Number: 17298-58-7
• SMILES: [C@@H]1([C@@H](O)[C@@H](O[C@@H]1CSC)[N]3C2=C(C(N=CN2)=O)N=C3)O
• InChI: 1S/C11H14N4O4S/c1-20-2-5-7(16)8(17)11(19-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1
• InChIKey: GXYLOXCSJFJFKA-IOSLPCCCSA-N

Properties

• Density: 1.852g/cm³ (Cal.)
• Boiling point: 686.719°C at 760 mmHg (Cal.)
• Flash point: 369.114°C (Cal.)