5-Methyldeoxycytidine Triphosphate
[CAS# 22003-12-9]

Identification

• Name: 5-Methyldeoxycytidine Triphosphate
• Synonyms: [(2R,3S,5R)-5-(4-Amino-5-Methyl-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-5-Methyl-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-2-Keto-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₈N₃O₁₃P₃
• Molecular Weight: 481.19
• CAS Registry Number: 22003-12-9
• 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(N)C(=C2)C
• InChI: 1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
• InChIKey: NGYHUCPPLJOZIX-XLPZGREQSA-N

Properties

• Density: 2.284g/cm³ (Cal.)
• Boiling point: 802.102°C at 760 mmHg (Cal.)
• Flash point: 438.896°C (Cal.)