Acetoacetyl Coenzyme A Sodium Salt Hydrate (>90%)
Product Code
TRC-A161840
Product Format
Neat
Molecular Formula
C25 H40 N7 O18 P3 S . xNa . xH2O
Product Categories
TRC, API Reference Standards & Research Materials, Penicillins
Documentation
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Product Information
Chemical Data
Analyte Name
Acetoacetyl Coenzyme A Sodium Salt Hydrate
Molecular Formula
C25 H40 N7 O18 P3 S . xNa . xH2O
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
InChI
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
IUPAC
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
Product Data
Storage Temperature
-20°C
Shipping Temperature
Blue Ice Dry Pack
Country of Origin
CANADA
Product Format
Neat