8-Bromo-9-beta-D-Xylofuranosyladenine
[CAS# 15830-78-1]

Identification

• Name: 8-Bromo-9-beta-D-Xylofuranosyladenine
• Synonyms: (2S,3R,4R,5R)-2-(6-Amino-8-Bromo-Purin-9-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2S,3R,4R,5R)-2-(6-Amino-8-Bromo-9-Purinyl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2S,3R,4R,5R)-2-(6-Amino-8-Bromo-Purin-9-Yl)-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₀H₁₂BrN₅O₄
• Molecular Weight: 346.14
• CAS Registry Number: 15830-78-1
• SMILES: [C@@H]3([N]1C(=NC2=C1N=CN=C2N)Br)[C@H](O)[C@@H](O)[C@H](O3)CO
• InChI: 1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5+,6-,9+/m1/s1
• InChIKey: VJUPMOPLUQHMLE-ZUAPJGPHSA-N

Properties

• Density: 2.46g/cm³ (Cal.)
• Boiling point: 717.663°C at 760 mmHg (Cal.)
• Flash point: 387.829°C (Cal.)