2-((4-Bromo-2,3-Dioxobutyl)Thio)-1,N(6)-Ethenoadenosine 2',5'-Bisphosphate
[CAS# 98088-69-8]

Identification

• Name: 2-((4-Bromo-2,3-Dioxobutyl)Thio)-1,N(6)-Ethenoadenosine 2',5'-Bisphosphate
• Synonyms: [(2R,3R,4R,5R)-2-[5-(4-Bromo-2,3-Dioxo-Butyl)Sulfanylimidazo[2,1-F]Purin-3-Yl]-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3R,4R,5R)-2-[5-[(4-Bromo-2,3-Dioxobutyl)Thio]-3-Imidazo[2,1-F]Purinyl]-4-Hydroxy-5-(Phosphonooxy
• Molecular Formula: C₁₆H₁₈BrN₅O₁₂P₂S
• Molecular Weight: 646.26
• CAS Registry Number: 98088-69-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](=O)(O)O)CO[P](=O)(O)O)[N]2C4=C(N=C2)C3=NC=C[N]3C(=N4)SCC(=O)C(=O)CBr
• InChI: 1S/C16H18BrN5O12P2S/c17-3-7(23)8(24)5-37-16-20-14-10(13-18-1-2-21(13)16)19-6-22(14)15-12(34-36(29,30)31)11(25)9(33-15)4-32-35(26,27)28/h1-2,6,9,11-12,15,25H,3-5H2,(H2,26,27,28)(H2,29,30,31)/t9-,11-,12-,15-/m1/s1
• InChIKey: DSNUDRLYUQLUOI-SDBHATRESA-N

Properties

• Density: 2.356g/cm³ (Cal.)