2',5'-Dideoxy-3'-(4-Fluorosulfonylbenzoyl)Adenosine
[CAS# 121878-15-7]

Identification

• Name: 2',5'-Dideoxy-3'-(4-Fluorosulfonylbenzoyl)Adenosine
• Synonyms: 2-[(2S,3R,5R)-5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-4-Fluorosulfonyl-Benzoic Acid; 2-[(2S,3R,5R)-5-(6-Amino-9-Purinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]-4-Fluorosulfonylbenzoic Acid; 2-[(2S,3R,5R)-5-(6-Aminopurin-9-Yl)-2-Methylol-Tetrahydrofuran-3-Yl]-4-Fluorosulfonyl-Benzoic Acid
• Molecular Formula: C₁₇H₁₆FN₅O₆S
• Molecular Weight: 437.40
• CAS Registry Number: 121878-15-7
• SMILES: [C@@H]1(CO)[C@H](C[C@@H](O1)[N]2C=NC3=C2N=CN=C3N)C4=CC(=CC=C4C(=O)O)[S](=O)(=O)F
• InChI: 1S/C17H16FN5O6S/c18-30(27,28)8-1-2-9(17(25)26)10(3-8)11-4-13(29-12(11)5-24)23-7-22-14-15(19)20-6-21-16(14)23/h1-3,6-7,11-13,24H,4-5H2,(H,25,26)(H2,19,20,21)/t11-,12-,13-/m1/s1
• InChIKey: VFBUFVROZIPIAW-JHJVBQTASA-N

Properties

• Density: 1.859g/cm³ (Cal.)
• Boiling point: 724.396°C at 760 mmHg (Cal.)
• Flash point: 391.901°C (Cal.)