5-(3-((3-(Methylthio)propionyl)amino)-1-propenyl)-2'-deoxyuridine-5'-triphosphate
[CAS# 106542-91-0]

Identification

• Name: 5-(3-((3-(Methylthio)propionyl)amino)-1-propenyl)-2'-deoxyuridine-5'-triphosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-[5-[(E)-3-(3-Methylsulfanylpropanoylamino)Prop-1-Enyl]-2,4-Dioxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-[5-[(E)-3-[[3-(Methylthio)-1-Oxopropyl]Amino]Prop-1-Enyl]-2,4-Dioxo-1-Pyrimidinyl]-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[2,4-Diketo-5-[(E)-3-[3-(Methylthio)Propanoylamino]Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₂₆N₃O₁₅P₃S
• Molecular Weight: 625.37
• CAS Registry Number: 106542-91-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)NC(=O)C(=C2)\C=C\CNC(=O)CCSC
• InChI: 1S/C16H26N3O15P3S/c1-38-6-4-13(21)17-5-2-3-10-8-19(16(23)18-15(10)22)14-7-11(20)12(32-14)9-31-36(27,28)34-37(29,30)33-35(24,25)26/h2-3,8,11-12,14,20H,4-7,9H2,1H3,(H,17,21)(H,27,28)(H,29,30)(H,18,22,23)(H2,24,25,26)/b3-2+/t11-,12+,14+/m0/s1
• InChIKey: LZEISLLFMCESQQ-FIUIOTCKSA-N

Properties

• Density: 1.773g/cm³ (Cal.)