Analyte Name

(2S,3R,4R,5S)-6-((2-((2-((4-Cyanophenyl)amino)pyrimidin-4-yl)amino)-5-((E)-2-cyanovinyl)-3-methylbenzyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid

Molecular Formula

C28 H26 N6 O7

Molecular Weight

558.542

Accurate Mass

558.186

SMILES

Cc1cc(\C=C\C#N)cc(COC2O[C@@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3

InChI

InChI=1S/C28H26N6O7/c1-15-11-17(3-2-9-29)12-18(14-40-27-24(37)22(35)23(36)25(41-27)26(38)39)21(15)33-20-8-10-31-28(34-20)32-19-6-4-16(13-30)5-7-19/h2-8,10-12,22-25,27,35-37H,14H2,1H3,(H,38,39)(H2,31,32,33,34)/b3-2+/t22-,23-,24+,25+,27?/m1/s1

IUPAC

(2S,3R,4R,5S)-6-[[2-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-5-[(E)-2-cyanoethenyl]-3-methylphenyl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat