alpha-Thiodeoxyadenosine triphosphate
[CAS# 87092-22-6]

Identification

• Name: alpha-Thiodeoxyadenosine triphosphate
• Synonyms: (Sp-)2'- Deoxyadenosine- 5'- O- (α-thiotriphosphate); 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate); Adenosine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2)
• Molecular Formula: C₁₀H₁₆N₅O₁₁P₃S
• Molecular Weight: 507.25
• CAS Registry Number: 87092-22-6
• SMILES: O=P(O)(O)OP(=O)(O)OP(=S)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)C[C@@H]3O
• 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-DLQJRSQOSA-N

Properties

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