Analyte Name

(1S,2S,3R,5S)-3-((6-chloro-5-((3-((1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl)-5-propylsulfanyltriazolo(4,5-d)pyrimidin-7-yl)amino)-2-propylsulfanylpyrimidin-4-yl)amino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Molecular Formula

C28 H42 Cl N9 O8 S2

Molecular Weight

732.272

Accurate Mass

731.229

SMILES

CCCSc1nc(Cl)c(Nc2nc(SCCC)nc3c2nnn3[C@@H]4C[C@H](OCCO)[C@@H](O)[C@H]4O)c(N[C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)n1

InChI

InChI=1S/C28H42ClN9O8S2/c1-3-9-47-27-32-23(29)17(24(33-27)30-13-11-15(45-7-5-39)21(43)19(13)41)31-25-18-26(35-28(34-25)48-10-4-2)38(37-36-18)14-12-16(46-8-6-40)22(44)20(14)42/h13-16,19-22,39-44H,3-12H2,1-2H3,(H,30,32,33)(H,31,34,35)/t13-,14-,15+,16+,19+,20+,21-,22-/m1/s1

IUPAC

(1S,2S,3R,5S)-3-[[6-chloro-5-[[3-[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-2-propylsulfanylpyrimidin-4-yl]amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat