Analyte Name

D-HPG-CoA

Molecular Formula

C29 H43 N8 O18 P3 S

Molecular Weight

916.681

Accurate Mass

916.163

SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](N)c4ccc(O)cc4

InChI

InChI=1S/C29H43N8O18P3S/c1-29(2,23(41)26(42)33-8-7-18(39)32-9-10-59-28(43)19(30)15-3-5-16(38)6-4-15)12-52-58(49,50)55-57(47,48)51-11-17-22(54-56(44,45)46)21(40)27(53-17)37-14-36-20-24(31)34-13-35-25(20)37/h3-6,13-14,17,19,21-23,27,38,40-41H,7-12,30H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t17-,19-,21-,22-,23+,27-/m1/s1

IUPAC

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2R)-2-amino-2-(4-hydroxyphenyl)ethanethioate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat