S-(5'-Adenosyl)-L-methionine-d3 Disulfate Salt (Synthetic)(Mixture of Diastereomers)

Analyte Name

S-(5'-Adenosyl)-L-methionine-d3 Disulfate Salt (Mixture of Diastereomers)

Molecular Formula

C15 DH3 H20 N6 O5 S . H S O4 . H2 S O4

Molecular Weight

597.612

Accurate Mass

597.0908

SMILES

[2H]C([2H])([2H])[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H]([C@@H](O)C1O)n2cnc3c(N)ncnc23.OS(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C15H22N6O5S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*(H2,1,2,3,4)/t7-,8+,10?,11-,14+,27?;;/m0../s1/i1D3;;

IUPAC

[(3S)-3-amino-3-carboxy-propyl]-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-(trideuteriomethyl)sulfonium;hydrogen sulfate;sulfuric acid

Alternate CAS Number

Inner salt: 68684-40-2

Unlabelled CAS Number

Free base: 29908-03-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat