N(6)-(4-Hydroxyisopentenyl)-2-Methylthioadenosine
[CAS# 26190-61-4]

Identification

• Name: N(6)-(4-Hydroxyisopentenyl)-2-Methylthioadenosine
• Synonyms: (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[[(E)-4-Hydroxy-3-Methyl-But-2-Enyl]Amino]-2-Methylsulfanyl-Purin-9-Yl]Tetrahydrofuran-3,4-Diol; (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[[(E)-4-Hydroxy-3-Methylbut-2-Enyl]Amino]-2-(Methylthio)-9-Purinyl]Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[[(E)-4-Hydroxy-3-Methyl-But-2-Enyl]Amino]-2-(Methylthio)Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₆H₂₃N₅O₅S
• Molecular Weight: 397.45
• CAS Registry Number: 26190-61-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC(=N3)SC)NC\C=C(\CO)C
• InChI: 1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3+/t9-,11-,12-,15-/m1/s1
• InChIKey: QEWSGVMSLPHELX-LECLTHIMSA-N

Properties

• Density: 1.638g/cm³ (Cal.)
• Boiling point: 798.472°C at 760 mmHg (Cal.)
• Flash point: 436.7°C (Cal.)