3'-Deoxycytidine 5'-Triphosphate
[CAS# 69383-05-7]

Identification

• Name: 3'-Deoxycytidine 5'-Triphosphate
• Synonyms: [(2S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₆N₃O₁₃P₃
• Molecular Weight: 467.16
• CAS Registry Number: 69383-05-7
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
• InChIKey: CHKFLBOLYREYDO-SHYZEUOFSA-N

Properties

• Density: 2.389g/cm³ (Cal.)
• Boiling point: 811.5°C at 760 mmHg (Cal.)
• Flash point: 444.579°C (Cal.)