5-Mercaptouridylic Acid
[CAS# 58380-75-9]

Identification

• Name: 5-Mercaptouridylic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(2,4-Dioxo-5-Sulfanyl-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Mercapto-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(2,4-Diketo-5-Mercapto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₉H₁₃N₂O₉PS
• Molecular Weight: 356.24
• CAS Registry Number: 58380-75-9
• SMILES: [C@@H]1(CO[P](=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O1)N2C(=O)NC(=O)C(=C2)S
• InChI: 1S/C9H13N2O9PS/c12-5-3(2-19-21(16,17)18)20-8(6(5)13)11-1-4(22)7(14)10-9(11)15/h1,3,5-6,8,12-13,22H,2H2,(H,10,14,15)(H2,16,17,18)/t3-,5-,6-,8-/m1/s1
• InChIKey: CNZHSMAVJXLLPA-ZIYNGMLESA-N

Properties

• Density: 1.911g/cm³ (Cal.)