Chemical Compound

Sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxobutanoyl)thio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogenphosphate trihydrate

CAS Registry Number 102029-52-7
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Sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxobutanoyl)thio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogenphosphate trihydrate 结构式
Primary record

Sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxobutanoyl)thio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogenphosphate trihydrate

库存
6,803 克
纯度
99.7 %
CAS
102029-52-7

化合物标识与属性

CAS
102029-52-7
PubChem CID
137699528
SMILES
CC(=O)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.O.O.O.[Na+].[Na+].[Na+]
Canonical SMILES
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O.O.O.O.[Na+].[Na+].[Na+]

名称与同义词

  • starbld0037083
  • Acetoacetyl coenzyme A sodium salt
  • 102029-52-7
  • Sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxobutanoyl)thio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogenphosphate trihydrate
  • N/A
  • trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-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;trihydrate