3-(8-Cyclopentyl-2,6-Dioxo-1-Propyl-7H-Purin-3-Yl)Propyl 4-Fluorosulfonylbenzoate
[CAS# 156547-56-7]

Identification

• Name: 3-(8-Cyclopentyl-2,6-Dioxo-1-Propyl-7H-Purin-3-Yl)Propyl 4-Fluorosulfonylbenzoate
• Synonyms: 4-Fluorosulfonylbenzoic Acid 3-(8-Cyclopentyl-2,6-Dioxo-1-Propyl-7H-Purin-3-Yl)Propyl Ester; 4-Fluorosulfonylbenzoic Acid 3-(8-Cyclopentyl-2,6-Diketo-1-Propyl-7H-Purin-3-Yl)Propyl Ester; Lopac-F-7927
• Molecular Formula: C₂₃H₂₇FN₄O₆S
• Molecular Weight: 506.55
• CAS Registry Number: 156547-56-7
• SMILES: C1=C([S](F)(=O)=O)C=CC(=C1)C(OCCCN4C2=C([NH]C(=N2)C3CCCC3)C(=O)N(C4=O)CCC)=O
• InChI: 1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
• InChIKey: XJLGXHIRSHTRPQ-UHFFFAOYSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 730.73°C at 760 mmHg (Cal.)
• Flash point: 395.732°C (Cal.)