101-87-1 Purity
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Specification
The molecular formula of Acetoacetyl coenzyme A sodium salt is C25H37N7Na3O18P3S.
The synonyms of Acetoacetyl coenzyme A sodium salt are 102029-52-7 trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate and DTXSID00657518.
Acetoacetyl coenzyme A sodium salt was created on 2009-08-08 and modified on 2023-12-30.
The IUPAC Name of Acetoacetyl coenzyme A sodium salt is trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate.
The InChIKey of Acetoacetyl coenzyme A sodium salt is KJJYKBIEKQJXHM-UHFFFAOYSA-K.
The Canonical SMILES of Acetoacetyl coenzyme A sodium salt is CC(=O)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.[Na+].[Na+].[Na+].
The molecular weight of Acetoacetyl coenzyme A sodium salt is 917.6 g/mol.
Acetoacetyl coenzyme A sodium salt has 6 Hydrogen Bond Donor Counts.
The exact mass of Acetoacetyl coenzyme A sodium salt is 917.08217237 g/mol.
Acetoacetyl coenzyme A sodium salt has 5 Undefined Atom Stereocenter Counts.