6-Thioinosine 5'-Monophosphate
[CAS# 53-83-8]

Identification

• Name: 6-Thioinosine 5'-Monophosphate
• Synonyms: [3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; 5'-Inosinic Acid, 6-Thio-
• Molecular Formula: C₁₀H₁₃N₄O₇PS
• Molecular Weight: 364.27
• CAS Registry Number: 53-83-8
• EINECS: 200-183-9
• SMILES: C1=NC3=C([N]1C2OC(C(O)C2O)CO[P](O)(O)=O)NC=NC3=S
• InChI: 1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)
• InChIKey: ZKRFOXLVOKTUTA-UHFFFAOYSA-N

Properties

• Density: 2.255g/cm³ (Cal.)
• Boiling point: 833.444°C at 760 mmHg (Cal.)
• Flash point: 457.85°C (Cal.)