Bis[2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethyl] (4-Methylsulfonylphenyl) Phosphate
[CAS# 125440-27-9]

Identification

• Name: Bis[2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethyl] (4-Methylsulfonylphenyl) Phosphate
• Synonyms: Phosphoric Acid Bis[2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethyl] (4-Methylsulfonylphenyl) Ester; Phosphoric Acid Bis[2-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methoxy]Ethyl] (4-Mesylphenyl) Ester; Bis(2-(Guanin-9-Ylmethoxy)Ethoxy)-4-(Methylsulfonyl)Phenyl Phosphate
• Molecular Formula: C₂₃H₂₇N₁₀O₁₀PS
• Molecular Weight: 666.56
• CAS Registry Number: 125440-27-9
• SMILES: C1=NC5=C([N]1COCCO[P](OCCOC[N]2C3=C(N=C2)C(=O)N=C(N3)N)(OC4=CC=C([S](=O)(=O)C)C=C4)=O)NC(=NC5=O)N
• InChI: 1S/C23H27N10O10PS/c1-45(37,38)15-4-2-14(3-5-15)43-44(36,41-8-6-39-12-32-10-26-16-18(32)28-22(24)30-20(16)34)42-9-7-40-13-33-11-27-17-19(33)29-23(25)31-21(17)35/h2-5,10-11H,6-9,12-13H2,1H3,(H3,24,28,30,34)(H3,25,29,31,35)
• InChIKey: CQBSOGFPVYFEBP-UHFFFAOYSA-N

Properties

• Density: 1.817g/cm³ (Cal.)
• Boiling point: 1007.416°C at 760 mmHg (Cal.)
• Flash point: 563.065°C (Cal.)