P(3)-1-(2-Nitrophenyl)Ethylcytidine-5'-Triphosphate
[CAS# 114119-93-6]

Identification

• Name: P(3)-1-(2-Nitrophenyl)Ethylcytidine-5'-Triphosphate
• Synonyms: [1-[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-(2-Nitrophenyl)Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [1-[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-(2-Nitrophenyl)Propyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [1-[(2S,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-(2-Nitrophenyl)Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₇H₂₃N₄O₁₆P₃
• Molecular Weight: 632.31
• CAS Registry Number: 114119-93-6
• SMILES: [C@@H]2(C(O[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)C(C)C1=CC=CC=C1[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H](O2)N3C(=O)N=C(N)C=C3
• InChI: 1S/C17H23N4O16P3/c1-8(9-4-2-3-5-10(9)21(25)26)14(35-39(30,31)37-40(32,33)36-38(27,28)29)15-12(22)13(23)16(34-15)20-7-6-11(18)19-17(20)24/h2-8,12-16,22-23H,1H3,(H,30,31)(H,32,33)(H2,18,19,24)(H2,27,28,29)/t8?,12-,13+,14?,15-,16+/m0/s1
• InChIKey: SYPHVFZJXBVJJN-LIAIKUQASA-N

Properties

• Density: 2.13g/cm³ (Cal.)
• Boiling point: 945.796°C at 760 mmHg (Cal.)
• Flash point: 525.799°C (Cal.)