Chemical Compound

4-[({[1-({3-[({[1-({[1-({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]-1-(2-nitrophenyl)propoxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]butanoic acid

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4-[({[1-({3-[({[1-({[1-({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]-1-(2-nitrophenyl)propoxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]butanoic acid 结构式
Primary record

4-[({[1-({3-[({[1-({[1-({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]-1-(2-nitrophenyl)propoxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102121355
SMILES
C1=CC=C(C(=C1)C(CCOP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=NC3=O)N)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=NC5=O)N)COP(=O)(O)O)OP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCCC(=O)O)[N+](=O)[O-]
Canonical SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCC(OP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCCC(=O)O)c3ccccc3[N+](=O)[O-])[C@H]2O)c(=O)n1

名称与同义词

  • J976.257D
  • 4-[({[1-({3-[({[1-({[1-({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]-1-(2-nitrophenyl)propoxy}(hydroxy)phosphoryl)-1,4,7,10,13,16-hexaoxaoctadecan-18-yl]oxy}(hydroxy)phosphoryl)oxy]butanoic acid
  • 4-[[18-[[1-(2-Nitrophenyl)-3-[2,22-dioxo-2,22-dihydroxy-41-[5 -O-[5 -O-(dihydroxyphosphinyl)-3 -cytidylyl]-3 -cytidylyl]-1,3,6,9,12,15,18,21,23,26,29,32,35,38,41-pentadecaoxa-2,22-diphospha(V)hentetracontane-1-yl]propoxy]hydroxyphosphinyl]-3,6,9,12,15,18-hexaoxaoctadecane-1-yloxy]hydroxyphosphinyloxy]butyric acid