9-(2-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine

Analyte Name

9-(2-O-Acetyl-3-bromo-3-deoxy-beta-D-xylofuranosyl)-9H-purin-6-amine

CAS Number

42867-78-7

Molecular Formula

C12 H14 Br N5 O4

Molecular Weight

372.175

Accurate Mass

371.023

SMILES

CC(=O)O[C@@H]1[C@@H](Br)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23

InChI

InChI=1S/C12H14BrN5O4/c1-5(20)21-9-7(13)6(2-19)22-12(9)18-4-17-8-10(14)15-3-16-11(8)18/h3-4,6-7,9,12,19H,2H2,1H3,(H2,14,15,16)/t6-,7+,9-,12-/m1/s1

IUPAC

[(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-5-(hydroxymethyl)oxolan-3-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat