2-(methylthio)-5'-O-[(phosphonatooxy)phosphinato]-Inosine sodium salt (1:4)
[CAS# 475193-31-8]

Identification

• Name: 2-(methylthio)-5'-O-[(phosphonatooxy)phosphinato]-Inosine sodium salt (1:4)
• Synonyms: 2-(Methylthio)adenosine 5′-diphosphate trisodium salt; 2-(Methylthio)adenosine 5'-diphosphate trisodium salt hydrate; 2-(Methylthio)adenosine 5'-trihydrogen diphosphate trisodium salt
• Molecular Formula: C₁₁H₁₃N₄Na₄O₁₁P₂S
• Molecular Weight: 563.21
• CAS Registry Number: 475193-31-8
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n1cnc2c1NC(\SC)=N/C2=O)[C@H](O)[C@@H]3O
• InChI: 1S/C11H16N4O11P2S.4Na/c1-29-11-13-8-5(9(18)14-11)12-3-15(8)10-7(17)6(16)4(25-10)2-24-28(22,23)26-27(19,20)21;;;;/h3-4,6-7,10,16-17H,2H2,1H3,(H,22,23)(H,13,14,18)(H2,19,20,21);;;;/q;4*+1/p-3/t4-,6-,7-,10-;;;;/m1..../s1
• InChIKey: OVLLZQQGFPWFBQ-KWIZKVQNSA-K

Properties

• Refractive index: (Cal.)