Analyte Name

5'-S-(3-Amino-3-carboxypropyl)-2',3'-O-(1-methylethylidene)-5'-thio Adenosine-D4

Molecular Formula

C17 D4 H20 N6 O5 S

Molecular Weight

428.499

Accurate Mass

428.178

SMILES

[2H]C([2H])(SCC1OC([C@@H]2OC(C)(C)O[C@H]12)n3cnc4c(N)ncnc34)C([2H])([2H])[C@H](N)C(=O)O

InChI

InChI=1S/C17H24N6O5S/c1-17(2)27-11-9(5-29-4-3-8(18)16(24)25)26-15(12(11)28-17)23-7-22-10-13(19)20-6-21-14(10)23/h6-9,11-12,15H,3-5,18H2,1-2H3,(H,24,25)(H2,19,20,21)/t8-,9?,11+,12+,15?/m0/s1/i3D2,4D2

IUPAC

(2S)-4-[[(3aR,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]-2-amino-3,3,4,4-tetradeuteriobutanoic acid

Unlabelled CAS Number

40950-52-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat