(S)-2'-Deoxyadenosine 5'-P''-ester with thiotriphosphoric acid
[CAS# 80875-87-2]

Identification

• Name: (S)-2'-Deoxyadenosine 5'-P''-ester with thiotriphosphoric acid
• Synonyms: [[(2R,3S)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinothioyl] Phosphono Hydrogen Phosphate; [[(2R,3S)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphinothioyl] Phosphono Hydrogen Phosphate; [[(2R,3S)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Thiophosphoryl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₁P₃S
• Molecular Weight: 507.24
• CAS Registry Number: 80875-87-2
• SMILES: [C@@H]3(O)[C@H](OC([N]2C1=NC=NC(=C1N=C2)N)C3)CO[P](=S)(O[P](O[P](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)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7?,29?/m0/s1
• InChIKey: CCPIKNHZOWQALM-SQJSSBPESA-N

Properties

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