Adenyl-5'-O-Phosphorothioate-(3'-5')Adenosine
[CAS# 80186-83-0]

Identification

• Name: Adenyl-5'-O-Phosphorothioate-(3'-5')Adenosine
• Synonyms: Adenosine, 5'-O-(Hydroxyhydroxy-18O-Phosphinothioyl)Adenylyl-(3'-5')-, (S)-; Adenyl-5'-O-Phosphorothioate-(3'-5')Adenosine
• Molecular Formula: C₂₀H₂₆N₁₀O₁₂P₂S
• Molecular Weight: 694.49
• CAS Registry Number: 80186-83-0
• SMILES: [18OH][P](=S)(OC[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O[C@H]4O[C@@H]([N]3C2=NC=NC(=C2N=C3)N)[C@H](O)[C@@H]4O)(O)=O)[N]6C5=NC=NC(=C5N=C6)N)O
• InChI: 1S/C20H26N10O12P2S/c21-14-9-16(25-3-23-14)29(5-27-9)18-11(31)7(1-39-44(36,37)45)8(40-18)2-38-43(34,35)42-20-13(33)12(32)19(41-20)30-6-28-10-15(22)24-4-26-17(10)30/h3-8,11-13,18-20,31-33H,1-2H2,(H,34,35)(H2,21,23,25)(H2,22,24,26)(H2,36,37,45)/t7-,8-,11-,12-,13+,18-,19-,20-/m1/s1/i36+2/t7-,8-,11-,12-,13+,18-,19-,20-,44?
• InChIKey: LJADMJKFDOROPG-MSXRWSPESA-N

Properties

• Density: 2.398g/cm³ (Cal.)