Analyte Name

6-S-Methyl-6-thio-ITP

CAS Number

51373-46-7

Molecular Formula

C11 H17 N4 O13 P3 S

Molecular Weight

538.258

Accurate Mass

537.973

SMILES

CSc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O

InChI

InChI=1S/C11H17N4O13P3S/c1-32-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(26-11)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1

IUPAC

[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat