Chemical Compound
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Primary record
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 101939216
- 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(=O)NCCSC(=O)CCSC(C(F)Cl)(F)F)O
- 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)NCCSC(=O)CCSC(F)(F)C(F)Cl
名称与同义词
- J939.597K
- 6-Chloro-5,5,6-trifluoro-4-thiahexanoyl CoA
- S-[3-[(1,1,2-Trifluoro-2-chloroethyl)thio]propanoyl]coenzyme A
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[3-[(1,1,2-trifluoro-2-chloroethyl)thio]propanoylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
- Adenosine 5 -[diphosphoric acid beta-[(R)-3-[[2-[[2-[[3-[(2-chloro-1,1,2-trifluoroethyl)thio]propionyl]thio]ethyl]carbamoyl]ethyl]carbamoyl]-2,2-dimethyl-3-hydroxypropyl]]3 -phosphoric acid