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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

Product Categories

Fatty acyls, Fatty acyls, TRC

Alternate CAS Number

Free acid: 72-89-9

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.
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Documentation

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Product Information

Chemical 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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice Dry Pack

Country of Origin

CANADA

Product Format

Neat
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