Inosine 5'-Phosphosulfate
[CAS# 29168-29-4]

Identification

• Name: Inosine 5'-Phosphosulfate
• Synonyms: [(2R,3S,4R,5R)-4-Hydroxy-5-(6-Oxo-3H-Purin-9-Yl)-3-Sulfooxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-4-Hydroxy-5-(6-Oxo-3H-Purin-9-Yl)-3-Sulfooxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-4-Hydroxy-5-(6-Keto-3H-Purin-9-Yl)-3-Sulfoxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₃N₄O₁₁PS
• Molecular Weight: 428.27
• CAS Registry Number: 29168-29-4
• SMILES: [C@H]1(O[S](O)(=O)=O)[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)[N]2C3=C(N=C2)C(=O)N=CN3
• InChI: 1S/C10H13N4O11PS/c15-6-7(25-27(20,21)22)4(1-23-26(17,18)19)24-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,11,12,16)(H2,17,18,19)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: ZZYRPLIWDICTKO-KQYNXXCUSA-N

Properties

• Density: 2.422g/cm³ (Cal.)