Analyte Name

6-Thioinosine Phosphate-13C2,15N

Molecular Formula

C8¹³C2H13N3¹⁵NO7PS

Molecular Weight

367.25

Accurate Mass

267.03

SMILES

O[C@H]1[C@@H](O)[C@H](COP(O)(O)=O)O[C@@H]1N(C=[15N]2)[13C]3=[13C]2C(N=CN3)=S

InChI

InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m0/s1/i5+1,8+1,13+1

IUPAC

((2S,3R,4S,5S)-3,4-dihydroxy-5-(6-thioxo-3,6-dihydro-9H-purin-9-yl-4,5-13C2-7-15N)tetrahydrofuran-2-yl)methyl dihydrogen phosphate

Unlabelled CAS Number

53-83-8

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat