Chemical Compound

sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate;hydrate

CAS Registry Number 55672-92-9
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sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate;hydrate 结构式
Primary record

sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate;hydrate

库存
7,720 克
纯度
99.6 %
CAS
55672-92-9

化合物标识与属性

CAS
55672-92-9
PubChem CID
176446195
SMILES
CC(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)[C@H](C(=O)NCCC(=NCCS)[O-])O.O.[Na+]
Canonical SMILES
CC(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)[C@@H](O)C(=O)NCCC([O-])=NCCS.O.[Na+]

名称与同义词

  • C21H37N7NaO17P3S
  • MFCD00079020
  • 55672-92-9
  • sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate;hydrate