5'-p-Fluorosulfonyl-Benzoyladenosine Hydrochloride
[CAS# 78859-42-4]

Identification

• Name: 5'-p-Fluorosulfonyl-Benzoyladenosine Hydrochloride
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 4-Fluorosulfonylbenzoate Hydrochloride; 4-Fluorosulfonylbenzoic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester Hydrochloride; 4-Fluorosulfonylbenzoic Acid [(2R,3S,4R,5R)-5-Adenin-9-Yl-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester Hydrochloride
• Molecular Formula: C₁₇H₁₇ClFN₅O₇S
• Molecular Weight: 489.86
• CAS Registry Number: 78859-42-4
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]3C2=NC=NC(=C2N=C3)N)COC(=O)C4=CC=C([S](F)(=O)=O)C=C4.[H+].[Cl-]
• InChI: 1S/C17H16FN5O7S.ClH/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23;/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21);1H/t10-,12-,13-,16-;/m1./s1
• InChIKey: ZUHVYHQVJYIHPN-KHXPSBENSA-N

Properties

• Boiling point: 756.7°C at 760 mmHg (Cal.)
• Flash point: 411.4°C (Cal.)