Analyte Name

8-TEMPO-aminoadenosine Cyclic 3',5'-Monophosphate

CAS Number

54606-91-6

Molecular Formula

C19 H29 N7 O7 P

Molecular Weight

498.45

Accurate Mass

498.187

SMILES

CC1(C)CC(CC(C)(C)N1[O])Nc2nc3c(N)ncnc3n2[C@@H]4O[C@@H]5COP(=O)(O)OC5C4O

InChI

InChI=1S/C19H29N7O7P/c1-18(2)5-9(6-19(3,4)26(18)28)23-17-24-11-14(20)21-8-22-15(11)25(17)16-12(27)13-10(32-16)7-31-34(29,30)33-13/h8-10,12-13,16,27H,5-7H2,1-4H3,(H,23,24)(H,29,30)(H2,20,21,22)/t10-,12?,13?,16-/m1/s1

IUPAC

(4aR,6R)-6-[6-amino-8-[(1-?1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat