2-Methylthio-N6-isopentenyladenosine-d6

Analyte Name

2-Methylthio-N6-isopentenyladenosine-d6

CAS Number

1258839-12-1

Molecular Formula

C16 D6 H17 N5 O4 S

Molecular Weight

387.487

Accurate Mass

387.185

SMILES

[2H]C([2H])([2H])C(=CCNc1nc(SC)nc2c1ncn2[C@@H]3O[C@H](CO)C(O)C3O)C([2H])([2H])[2H]

InChI

InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11?,12?,15-/m1/s1/i1D3,2D3

IUPAC

(2R,5R)-2-(hydroxymethyl)-5-[2-methylsulfanyl-6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]oxolane-3,4-diol

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat