O(4)-Ethylthymidine 5'-Triphosphate
[CAS# 96027-03-1]

Identification

• Name: O(4)-Ethylthymidine 5'-Triphosphate
• Synonyms: [(2R,3S,5R)-5-(4-Ethoxy-5-Methyl-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Ethoxy-5-Methyl-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphono
• Molecular Formula: C₁₂H₂₁N₂O₁₄P₃
• Molecular Weight: 510.22
• CAS Registry Number: 96027-03-1
• 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(OCC)C(=C2)C
• InChI: 1S/C12H21N2O14P3/c1-3-24-11-7(2)5-14(12(16)13-11)10-4-8(15)9(26-10)6-25-30(20,21)28-31(22,23)27-29(17,18)19/h5,8-10,15H,3-4,6H2,1-2H3,(H,20,21)(H,22,23)(H2,17,18,19)/t8-,9+,10+/m0/s1
• InChIKey: BKPIEXSGCJRDDJ-IVZWLZJFSA-N

Properties

• Density: 2.027g/cm³ (Cal.)
• Boiling point: 755.652°C at 760 mmHg (Cal.)
• Flash point: 410.804°C (Cal.)