Acetyl Coenzyme A Trisodium Salt
Product Code
TRC-A172130
CAS Number
102029-73-2
Product Format
Neat
Molecular Formula
C23 H38 N7 O17 P3 S . 3 Na
Molecular Weight
878.54
Alternate CAS Number
Free acid: 72-89-9
Documentation
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Product Information
Product Data
Analyte Name
S-Acetyl CoA trisodium salt
CAS Number
102029-73-2
Molecular Formula
C23 H38 N7 O17 P3 S . 3 Na
Molecular Weight
878.54
Accurate Mass
878.0951
SMILES
[Na+].[Na+].[Na+].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChI
InChI=1S/C23H38N7O17P3S.3Na/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);;;/q;3*+1/t13-,16-,17-,18+,22-;;;/m1.../s1
IUPAC
trisodium;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] ethanethioate
Alternate CAS Number
Free acid: 72-89-9
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Blue Ice Dry Pack
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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