6-Chloropurine Riboside 5'-Triphosphate Triethylamine Salt

Analyte Name

6-Chloropurine Riboside 5'-Triphosphate Triethylamine Salt

Molecular Formula

C10H14ClN4O13P3 .3(C6H16N.)

Molecular Weight

830.19

Accurate Mass

829.31

SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O[C@H]1[C@H](N2C=NC3=C(Cl)N=CN=C23)O[C@H](COP(OP(OP(O[O-])([O-])=O)([O-])=O)=O)[C@H]1O

InChI

InChI=1S/C10H14ClN4O13P3.3C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-29(19)27-31(22,23)28-30(20,21)26-18;3*1-4-7(5-2)6-3/h2-4,6-7,10,16-18,29H,1H2,(H,20,21)(H,22,23);3*4-6H2,1-3H3/t4-,6-,7-,10-;;;/m1.../s1

IUPAC

6-Chloro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-ß-D-ribofuranosyl]-9H-purine Triethylamine Salt

Alternate CAS Number

55673-61-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat