N,N-Diethylethanaminium (2S,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2-thiolate 2-oxide
[CAS# 71774-13-5]

Identification

• Name: N,N-Diethylethanaminium (2S,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2-thiolate 2-oxide
• Synonyms: "Adenosine 3',5'-cyclic monophosphothioate Sp-isomer triethylammonium salt"; (S)-Adenosine, cyclic 3',5'-(hydrogenphosphorothioate) triethylammonium; [71774-13-5]
• Molecular Formula: C₁₆H₂₇N₆O₅PS
• Molecular Weight: 446.46
• CAS Registry Number: 71774-13-5
• SMILES: CC[NH+](CC)CC.C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O[P@](=O)(O1)[S-]
• InChI: 1S/C10H12N5O5PS.C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7;1-4-7(5-2)6-3/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13);4-6H2,1-3H3/t4-,6-,7-,10-,21+;/m1./s1
• InChIKey: OXIPZMKSNMRTIV-BIQAKYJPSA-N

Properties

• solubility: Soluble to 100 mM in water