2'-Deoxyadenosine 5'-O-(2-Thiotriphosphate)
[CAS# 80227-17-4]

Identification

• Name: 2'-Deoxyadenosine 5'-O-(2-Thiotriphosphate)
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Dihydroxyphosphinothioyloxy-Hydroxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Dihydroxyphosphinothioyloxy-Hydroxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Dihydroxythiophosphoryloxy-Hydroxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₁P₃S
• Molecular Weight: 507.24
• CAS Registry Number: 80227-17-4
• SMILES: [C@@H]3(O)[C@H](O[C@@H]([N]2C1=NC=NC(=C1N=C2)N)C3)CO[P](O[P](O[P](=S)(O)O)(O)=O)(O)=O
• InChI: 1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-27(17,18)25-28(19,20)26-29(21,22)30/h3-7,16H,1-2H2,(H,17,18)(H,19,20)(H2,11,12,13)(H2,21,22,30)/t5-,6+,7+/m0/s1
• InChIKey: KOKUNZDFUDOTDJ-RRKCRQDMSA-N

Properties

• Density: 2.456g/cm³ (Cal.)
• Boiling point: 903.549°C at 760 mmHg (Cal.)
• Flash point: 500.248°C (Cal.)