Introduction：Basic information about CAS 102029-52-7|trisodium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common 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 |
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| CAS Number | 102029-52-7 | Molecular Weight | 917.55300 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C25H37N7Na3O18P3S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| 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 |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Acetoacetyl coenzyme A sodium is a central endogenous metabolite. The Km at pH 7.5 for Acetoacetyl coenzyme A sodium is 1.10 mM. Acetoacetyl coenzyme A sodium can be used for the synthesis of phosphotransbutyrylase (PTB) and poly-3-hydroxybutyrate (PHB)[1][2]. |
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| Related Catalog | Research Areas >>Others |
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| Target | Microbial Metabolite |
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| References | [1]. Thompson DK, et al. Purification and properties of an acetoacetyl coenzyme A-reacting phosphotransbutyrylase from Clostridium beijerinckii ("Clostridium butylicum") NRRL B593. Appl Environ Microbiol. 1990 Mar;56(3):607-13. [2]. Chohan SN, et al. Acetoacetyl coenzyme A reductase and polyhydroxybutyrate synthesis in rhizobium (Cicer) sp. Strain CC 1192. Appl Environ Microbiol. 1998 Aug;64(8):2859-63. |
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Chemical & Physical Properties
| Molecular Formula | C25H37N7Na3O18P3S |
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| Molecular Weight | 917.55300 |
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| Exact Mass | 917.08200 |
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| PSA | 443.92000 |
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| LogP | 1.32140 |
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| InChIKey | KJJYKBIEKQJXHM-WSRMJXCZSA-K |
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| SMILES | CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])O.[Na+].[Na+].[Na+] |
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Safety Information
Synonyms
