5'-(Sulfonylbenzoyl)Adenosine
[CAS# 57454-44-1]

Identification

• Name: 5'-(Sulfonylbenzoyl)Adenosine
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 4-Fluorosulfonylbenzoate; 4-Fluorosulfonylbenzoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; 4-Fluorosulfonylbenzoic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₁₇H₁₆FN₅O₇S
• Molecular Weight: 453.40
• CAS Registry Number: 57454-44-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)COC(=O)C2=CC=C([S](F)(=O)=O)C=C2)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C17H16FN5O7S/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)/t10-,12-,13-,16-/m1/s1
• InChIKey: AQZGKOBMIMVGMG-XNIJJKJLSA-N

Properties

• Density: 1.876g/cm³ (Cal.)
• Boiling point: 756.664°C at 760 mmHg (Cal.)
• Flash point: 411.416°C (Cal.)