Analyte Name

5'-[(3-amino-3-carboxypropyl)ethylsulfonio]-5'-deoxyadenosine Iodide-D6

Molecular Formula

C16H20D5N6O5S • I

Molecular Weight

545.41

Accurate Mass

545.1

SMILES

O[C@H]([C@@H]1O)[C@@H](O[C@@H]1C[S+](C([2H])([2H])C([2H])([2H])[2H])CC[C@H](N)C(O)=O)N2C3=NC=NC(N)=C3N=C2.[I-]

InChI

InChI=1S/C16H24N6O5S.HI/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22;/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26);1H/t8-,9+,11+,12+,15+,28?;/m0./s1/i1D3,2D2;

IUPAC

((S)-3-amino-3-carboxypropyl)(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(ethyl-d5)sulfonium iodide

Unlabelled CAS Number

102029-72-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat