Acetyl-1,2-13C2 Coenzyme A Sodium Salt (~2% Unlabelled)
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- structure.search.product.name Acetyl-1,2-13C2 Coenzyme A Sodium Salt (~2% Unlabelled)
- Product Code: TRC-A172214
- Brand: TRC
Product Overview
Product Code
TRC-A172214
Product Format
Neat
Molecular Formula
C2113C2H38N7O17P3S • x(Na)
Molecular Weight
811.562299
Product Categories
TRC - Toronto Research Chemicals, Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Acetyl-1,2-13C2 Coenzyme A Sodium Salt
Molecular Formula
C2113C2H38N7O17P3S • x(Na)
Molecular Weight
811.562299
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]3OC(COP(O)(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCS[13C]([13CH3])=O)=O)=O)(O)=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O
InChI
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13?,16-,17-,18+,22-/m1/s1/i1+1,12+1
IUPAC
S-[2-[3-[[(2R)-4-[[[(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] (1,2-13C2)ethanethioate
Unlabelled CAS Number
918149-33-4
SIL Type
Carbon
Product Data
Storage Temperature
-20°C
Shipping Temperature
Dry Pack
Country of Origin
CANADA
Product Type
Bioactive small molecule; Impurity; Stable Isotope Labelled
Product Format
Neat
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