Adenosine-5'-O-(1-Thiotriphosphate)
[CAS# 35094-46-3]

Identification

• Name: Adenosine-5'-O-(1-Thiotriphosphate)
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Dihydroxyphosphinothioyloxy-Hydroxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Dihydroxyphosphinothioyloxy-Hydroxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Dihydroxythiophosphoryloxy-Hydroxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₂P₃S
• Molecular Weight: 523.24
• CAS Registry Number: 35094-46-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=S)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
• InChIKey: NLTUCYMLOPLUHL-KQYNXXCUSA-N

Properties

• Density: 2.567g/cm³ (Cal.)
• Boiling point: 940.467°C at 760 mmHg (Cal.)
• Flash point: 522.576°C (Cal.)