Analyte Name

2-S-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-thiouridine

CAS Number

1401688-09-2

Molecular Formula

C19H28N2O5S

Molecular Weight

396.5

Accurate Mass

396.17

SMILES

O=C1N=C(SC/C=C(C)/CC/C=C(C)/C)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1

InChI

InChI=1S/C19H28N2O5S/c1-12(2)5-4-6-13(3)8-10-27-19-20-15(23)7-9-21(19)18-17(25)16(24)14(11-22)26-18/h5,7-9,14,16-18,22,24-25H,4,6,10-11H2,1-3H3/b13-8+/t14-,16-,17-,18-/m1/s1

IUPAC

1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-(((E)-3,7-dimethylocta-2,6-dien-1-yl)thio)pyrimidin-4(1H)-one

Country of Origin

CANADA

Product Format

Neat