Thioinosine 5'-(beta, gamma-Methylene)Triphosphate
[CAS# 81536-59-6]

Identification

• Name: Thioinosine 5'-(beta, gamma-Methylene)Triphosphate
• Synonyms: [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Methyl-Phosphinic Acid; [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Methylphosphinic Acid; [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Sulfanylidene-3H-Purin-9-Yl)Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Methyl-Phosphinic Acid
• Molecular Formula: C₁₁H₁₇N₄O₁₂P₃S
• Molecular Weight: 522.26
• CAS Registry Number: 81536-59-6
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=S)N=CN3)CO[P](O[P](O[P](O)(=O)C)(O)=O)(O)=O
• InChI: 1S/C11H17N4O12P3S/c1-28(18,19)26-30(22,23)27-29(20,21)24-2-5-7(16)8(17)11(25-5)15-4-14-6-9(15)12-3-13-10(6)31/h3-5,7-8,11,16-17H,2H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,12,13,31)/t5-,7-,8-,11-/m1/s1
• InChIKey: HOYRDPDXGBKDRF-IOSLPCCCSA-N

Properties

• Density: 2.35g/cm³ (Cal.)
• Boiling point: 910.479°C at 760 mmHg (Cal.)
• Flash point: 504.44°C (Cal.)