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Acetoacetyl Coenzyme A Sodium Hydrate (>90%), TRC

Product Code. 30318491
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Product Code. 30318491 Supplier Toronto Research Chemicals Supplier No. TRCA1618401MG

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Specifications

Chemical Name or Material Acetoacetyl Coenzyme A Sodium Salt Hydrate
Analyte or Component Names Acetoacetyl Coenzyme A Sodium Salt Hydrate
Shipping Condition Blue Ice Dry Pack
Molecular Formula C25 H40 N7 O18 P3 S . xNa . xH2O
InChI Formula InChI=1S/C25H40N7O18P3S.Na.H2O/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);;1H2/q;+1;/t14-,18-,19-,20+,24-;;/m1../s1
Solution Type Neat
SMILES O.[Na+].CC(=O)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
IUPAC Name sodium;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate;hydrate
Industry Type Pharmaceutical
Molecular Weight (g/mol) 892.6
Quantity 1 mg
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