5'-(4-Bromomethylbenzoyl)Adenosine
[CAS# 97143-48-1]

Identification

• Name: 5'-(4-Bromomethylbenzoyl)Adenosine
• Synonyms: [(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 4-(Bromomethyl)Benzoate; 4-(Bromomethyl)Benzoic Acid [(2R,3S,4R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; 4-(Bromomethyl)Benzoic Acid [(2R,3S,4R)-5-(6-A
• Molecular Formula: C₁₈H₁₈BrN₅O₅
• Molecular Weight: 464.27
• CAS Registry Number: 97143-48-1
• SMILES: [N]4(C1O[C@@H]([C@@H](O)[C@H]1O)COC(=O)C2=CC=C(C=C2)CBr)C3=NC=NC(=C3N=C4)N
• InChI: 1S/C18H18BrN5O5/c19-5-9-1-3-10(4-2-9)18(27)28-6-11-13(25)14(26)17(29-11)24-8-23-12-15(20)21-7-22-16(12)24/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H2,20,21,22)/t11-,13-,14-,17?/m1/s1
• InChIKey: QZBYYFGXZFWZRN-IKYDMHQPSA-N

Properties

• Density: 1.878g/cm³ (Cal.)
• Boiling point: 750.515°C at 760 mmHg (Cal.)
• Flash point: 407.697°C (Cal.)