(1R-(1alpha,4beta))-5'-((4-Amino-2-cyclopenten-1-yl)methylsulfonio)-5'-deoxyadenosine sulfate (salt) (1:1:1)
[CAS# 142697-76-5]

Identification

• Name: (1R-(1alpha,4beta))-5'-((4-Amino-2-cyclopenten-1-yl)methylsulfonio)-5'-deoxyadenosine sulfate (salt) (1:1:1)
• Synonyms: (4-Amino-1-Cyclopent-2-Enyl)-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-Hydroxy-Methyl]-Methyl-Sulfonium; Hydrogen Sulfate; Sulfuric Acid; (4-Amino-1-Cyclopent-2-Enyl)-[[(2S,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-Hydroxymethyl]-Methylsulfonium; Hydrogen Sulfate; Sulfuric Acid
• Molecular Formula: C₁₆H₂₆N₆O₁₂S₃
• Molecular Weight: 590.59
• CAS Registry Number: 142697-76-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C([S+](C2CC(N)C=C2)C)O)[N]3C4=C(N=C3)C(=NC=N4)N.O=[S]([O-])(=O)O.O=[S](=O)(O)O
• InChI: 1S/C16H23N6O4S.2H2O4S/c1-27(8-3-2-7(17)4-8)16(25)12-10(23)11(24)15(26-12)22-6-21-9-13(18)19-5-20-14(9)22;2*1-5(2,3)4/h2-3,5-8,10-12,15-16,23-25H,4,17H2,1H3,(H2,18,19,20);2*(H2,1,2,3,4)/q+1;;/p-1/t7?,8?,10-,11+,12-,15+,16?,27?;;/m0../s1
• InChIKey: XHPMJOLFPZNQBZ-OZHVXATGSA-M