Cyclopentenylcytosine 6-Triphosphate
[CAS# 118045-71-9]

Identification

• Name: Cyclopentenylcytosine 6-Triphosphate
• Synonyms: [(3R,4S,5R)-3-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4,5-Dihydroxy-1-Cyclopentenyl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(3R,4S,5R)-3-(4-Amino-2-Oxo-1-Pyrimidinyl)-4,5-Dihydroxy-1-Cyclopentenyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(3R,4S,5R)-3-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4,5-Dihydroxy-1-Cyclopentenyl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₃O₁₃P₃
• Molecular Weight: 479.17
• CAS Registry Number: 118045-71-9
• SMILES: [C@H]2(N1C(=O)N=C(N)C=C1)[C@H](O)[C@H](O)C(=C2)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C10H16N3O13P3/c11-7-1-2-13(10(16)12-7)6-3-5(8(14)9(6)15)4-24-28(20,21)26-29(22,23)25-27(17,18)19/h1-3,6,8-9,14-15H,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,8-,9+/m1/s1
• InChIKey: SDWSIGMPZFNONK-VDAHYXPESA-N

Properties

• Density: 2.368g/cm³ (Cal.)
• Boiling point: 798.709°C at 760 mmHg (Cal.)
• Flash point: 436.844°C (Cal.)