Deoxycytidine Thiotriphosphate
[CAS# 64145-29-5]

Identification

• Name: Deoxycytidine Thiotriphosphate
• Synonyms: [[(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphinothioyl] Phosphono Hydrogen Phosphate; [[(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphinothioyl] Phosphono Hydrogen Phosphate; [[(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Thiophosphoryl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₉H₁₆N₃O₁₂P₃S
• Molecular Weight: 483.22
• CAS Registry Number: 64145-29-5
• SMILES: [C@@H]2(O[C@@H](N1C(=O)N=C(N)C=C1)C[C@@H]2O)CO[P](=S)(O[P](O[P](=O)(O)O)(=O)O)O
• InChI: 1S/C9H16N3O12P3S/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(22-8)4-21-27(20,28)24-26(18,19)23-25(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,28)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+,27?/m0/s1
• InChIKey: CBYOGVVSAABFCZ-JURLQNGUSA-N

Properties

• Density: 2.335g/cm³ (Cal.)
• Boiling point: 805.335°C at 760 mmHg (Cal.)
• Flash point: 440.851°C (Cal.)