Products 102029-52-7

CAS 102029-52-7 appears in our catalog under these names: Acetoacetyl Coenzyme A Sodium Salt, Acetoacetyl coenzyme A trisodium salt tetrahydrate, Acetoacetyl coenzyme A (sodium). Offered by: Chemat Brand, Biosynth, MedChemExpress. Available pack sizes: on request, 20mg, 10mg, Get quote.

Acetoacetyl Coenzyme A Sodium Salt
Chemat Brand
  • size: on request
  • Variants: 1
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Acetoacetyl coenzyme A trisodium salt tetrahydrate
Biosynth
  • size: 20mg, 10mg
  • Variants: 2
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Acetoacetyl coenzyme A (sodium)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

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 (CAS 102029-52-7) is a chemical compound with the molecular formula C25H37N7Na3O18P3S and a molecular weight of 917.6 g/mol. IUPAC name: 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. InChIKey: KJJYKBIEKQJXHM-UHFFFAOYSA-K.

Identity
Molecular formulaC25H37N7Na3O18P3S
Molecular weight917.6 g/mol
IUPAC nametrisodium;[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
InChIKeyKJJYKBIEKQJXHM-UHFFFAOYSA-K
SMILESCC(=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+]

Computed by PubChem (NCBI)

Synonyms: Acetoacetyl coenzyme A sodium salt, Acetoacetyl Coenzyme A, Sodium salt, Acetoacetyl coenzyme A trisodium salt tetrahydrate, Acetoacetyl-CoANa3 tetrahydrate, Acetoacetyl-CoAxNa