S-2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)acetyl Coenzyme A
Product Code
TRC-T116840-250MG
Product Format
Neat
Molecular Formula
C30 H50 N7 O19 P3 S
Molecular Weight
937.74
Product Categories
Product Information
Chemical Data
Analyte Name
S-2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)acetyl Coenzyme A
Molecular Formula
C30 H50 N7 O19 P3 S
Molecular Weight
937.74
Accurate Mass
937.21
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)CC4(C)OCC(C)(C)CO4
InChI
InChI=1S/C30H50N7O19P3S/c1-28(2)12-50-30(5,51-13-28)10-19(39)60-9-8-32-18(38)6-7-33-26(42)23(41)29(3,4)14-53-59(48,49)56-58(46,47)52-11-17-22(55-57(43,44)45)21(40)27(54-17)37-16-36-20-24(31)34-15-35-25(20)37/h15-17,21-23,27,40-41H,6-14H2,1-5H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,21+,22+,23+,27-/m1/s1
IUPAC
S-[2-[3-[[(2R)-4-[[[(2R,3R,4S,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] 2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethanethioate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat