5'-O-[4-(Fluorosulfonyl)benzoyl]inosine
[CAS# 83133-70-4]

Identification

• Name: 5'-O-[4-(Fluorosulfonyl)benzoyl]inosine
• Synonyms: [(3S,2R,4R,5R)-3,4-Dihydroxy-5-(6-oxohydropurin-9-yl)oxolan-2-yl]methyl 4-(fluorosulfonyl)benzoate; 5'-4-Fsbi; Inosine, 5'-(4-(fluorosulfonyl)benozate)
• Molecular Formula: C₁₇H₁₅FN₄O₈S
• Molecular Weight: 454.39
• CAS Registry Number: 83133-70-4
• SMILES: FS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]4O[C@@H](n2cnc3c2N\C=N/C3=O)[C@H](O)[C@@H]4O
• InChI: 1S/C17H15FN4O8S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(23)13(24)16(30-10)22-7-21-11-14(22)19-6-20-15(11)25/h1-4,6-7,10,12-13,16,23-24H,5H2,(H,19,20,25)/t10-,12-,13-,16-/m1/s1
• InChIKey: PIYDJHVVMJELRZ-XNIJJKJLSA-N

Properties

• Density: 1.876g/cm³ (Cal.)
• Boiling point: 789.98°C at 760 mmHg (Cal.)
• Flash point: 431.565°C (Cal.)