S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate
Modify Date: 2025-08-25 10:41:49
![S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate Structure](https://image.chemsrc.com/caspic/068/135027-64-4.png)
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate structure
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Common Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate | ||
|---|---|---|---|---|
| CAS Number | 135027-64-4 | Molecular Weight | 955.80000 | |
| Density | 1.66g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C34H52N7O17P3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.66g/cm3 |
|---|---|
| Molecular Formula | C34H52N7O17P3S |
| Molecular Weight | 955.80000 |
| Exact Mass | 955.23500 |
| PSA | 425.34000 |
| LogP | 4.02770 |
| Index of Refraction | 1.672 |
| InChIKey | AUWPNTKLVZJJLA-FTEDYNDWSA-N |
| SMILES | CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)c1ccc(C(C)(C)C)cc1 |
| Ibuprofenyl-coa |
| Coenzyme A,ibuprofenyl |
| Ibuprofenyl-coenzyme A |
| (S)-ibuprofenoyl CoA |
| 2-(4-Isobutylphenyl)propionyl-coa |