4-A​amino-​6-​bromo-​5-​cyano-​7-​(2,​3,​5-​tri-​O-​benzoyl-​beta-​D-​ribofuranosyl)​pyrrolo[2,​3-​d]​pyrimidine

Analyte Name

4-Aamino-6-bromo-5-cyano-7-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine

CAS Number

151707-53-8

Molecular Formula

C33 H24 Br N5 O7

Molecular Weight

682.477

Accurate Mass

681.086

SMILES

Nc1ncnc2c1c(C#N)c(Br)n2[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]3OC(=O)c6ccccc6

InChI

InChI=1S/C33H24BrN5O7/c34-27-22(16-35)24-28(36)37-18-38-29(24)39(27)30-26(46-33(42)21-14-8-3-9-15-21)25(45-32(41)20-12-6-2-7-13-20)23(44-30)17-43-31(40)19-10-4-1-5-11-19/h1-15,18,23,25-26,30H,17H2,(H2,36,37,38)/t23-,25-,26-,30-/m1/s1

IUPAC

[(2R,3R,4R,5R)-5-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat