Thioguanosine 5’-Phosphate-13C,15N2 triethylamine salt

Analyte Name

Thioguanosine 5'-Phosphate-13C,15N2 triethylamine salt

Molecular Formula

C9 13C H14 N3 15N2 O7 P S . 2[C6 H15 N]

Molecular Weight

382.26

Accurate Mass

382.03

SMILES

CCN(CC)CC.CCN(CC)CC.O[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1N2C=NC3=C2N=[13C]([15NH2])[15NH]C3=S

InChI

InChI=1S/C10H14N5O7PS.2C6H15N/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20;2*1-4-7(5-2)6-3/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24);2*4-6H2,1-3H3/t3-,5-,6-,9-;;/m1../s1/i10+1,11+1,14+1;;

IUPAC

((2R,3S,4R,5R)-5-(2-(amino-15N)-6-thioxo-1,6-dihydro-9H-purin-9-yl-2-13C-1-15N)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

SIL Type

Nitrogen, Carbon

Country of Origin

CANADA

Product Format

Neat