Chemical Compound
S-[2-[3-[[4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enethioate
CAS Registry Number
59862-14-5
Primary record
S-[2-[3-[[4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enethioate
- 库存
- 2,463 克
- 纯度
- 99.5 %
- CAS
- 59862-14-5
化合物标识与属性
- CAS
- 59862-14-5
- PubChem CID
- 166600394
- 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(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)O)O
- Canonical SMILES
- COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)O)cc(O)c1O
名称与同义词
- C31H44N7O20P3S
- 59862-14-5
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoylsulfanyl]ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho
- N/A
- S-[2-[3-[[4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enethioate