MTDIA
[CAS# 653592-04-2]

Identification

• Name: MTDIA
• Synonyms: Methylthio-DADMe-Immucillin A; MT-DADMe-ImmA; (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-3-hydroxy-4-((methylthio)methyl)pyrrolidin-1-ium
• Molecular Formula: C₁₃H₁₉N₅OS
• Molecular Weight: 294.35
• CAS Registry Number: 653592-04-2
• SMILES: CSCC1CN(CC1O)CC2=CNC3=C2N=CN=C3N
• InChI: 1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
• InChIKey: NTHMDFGHOCNNOE-ZJUUUORDSA-N

Properties

• Density: 1.412±0.06g/cm³ Temp: 20 °C Press: 760 Torr (Expl.)
• Melting point: 108-110°C (Expl.)
• Boiling point: 566.1±50.0°C Press: 760 Torr (Expl.)
• solubility: Soluble in DMSO, not in water