Analyte Name

2-(Iodobenzyl)mercapto-1,N6-etheno-2'-deoxy-ATP

Molecular Formula

C19 H21 I N5 O12 P3 S

Molecular Weight

763.287

Accurate Mass

762.916

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3c4nccn4c(SCc5ccc(I)cc5)nc23

InChI

InChI=1S/C19H21IN5O12P3S/c20-12-3-1-11(2-4-12)9-41-19-23-18-16(17-21-5-6-24(17)19)22-10-25(18)15-7-13(26)14(35-15)8-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-6,10,13-15,26H,7-9H2,(H,30,31)(H,32,33)(H2,27,28,29)/t13-,14+,15+/m0/s1

IUPAC

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(4-iodophenyl)methylsulfanyl]imidazo[2,1-f]purin-3-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat