O(4)-Isopropylthymidine 5'-phosphate
[CAS# 100515-08-0]

Identification

• Name: O(4)-Isopropylthymidine 5'-phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-5-Methyl-2-Oxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-5-Methyl-2-Oxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-2-Keto-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₃H₂₃N₂O₁₄P₃
• Molecular Weight: 524.25
• CAS Registry Number: 100515-08-0
• 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)N=C(OC(C)C)C(=C2)C
• InChI: 1S/C13H23N2O14P3/c1-7(2)26-12-8(3)5-15(13(17)14-12)11-4-9(16)10(27-11)6-25-31(21,22)29-32(23,24)28-30(18,19)20/h5,7,9-11,16H,4,6H2,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20)/t9-,10+,11+/m0/s1
• InChIKey: JFBLFQYPGSJNIC-HBNTYKKESA-N

Properties

• Density: 1.965g/cm³ (Cal.)
• Boiling point: 750.731°C at 760 mmHg (Cal.)
• Flash point: 407.827°C (Cal.)