Acetyl coenzyme A lithium salt

Base Information

• Chemical Name: Acetyl coenzyme A lithium salt
• CAS No.: 32140-51-5
• Molecular Formula: C23H38 N7 O17 P3 S . x Li
• Molecular Weight: 827.372
• European Community (EC) Number: 278-233-4,631-193-5
• DSSTox Substance ID: DTXSID70585056
• Mol file: 32140-51-5.mol

Synonyms:Acetyl coenzyme A lithium salt;Acetyl coenzyme A trilithium salt;32140-51-5;75520-41-1;Acetyl-S-CoA Li3;Acetylcoenzymeatrilithiumsalt;MFCD00167406;trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate;Acetylcoenzyme A, trilithium salt;EINECS 278-233-4;Acetyl CoA trilithium salt;Acetyl coenzyme a(c2:0)lithium;acetyl-coenzyme a trilithium salt;DTXSID70585056;AKOS030242939;Acetyl coenzyme A lithium salt, >=93% (HPLC);J-018652;J-700141

Chemical Property of Acetyl coenzyme A lithium salt

Chemical Property:

• PSA: 426.85000
• LogP: 1.36220
• Storage Temp.: ?20°C
• Solubility.: H2O: soluble100mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 20
• Exact Mass: 827.1503101
• Heavy Atom Count: 54
• Complexity: 1360

Purity/Quality:

99%, ^*data from raw suppliers

Acetyl coenzyme?A lithium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
• Isomeric SMILES: [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
• Uses: Acetyl coenzyme A is suitable in CAT reporter assay for the measurement of chloramphenicol acetyltransferase by incubating the cell extract with 0.1 μCi [14C] chloramphenicol and 0.5mM acetyl-CoA.