HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-{5-O-[{[(4-{[3-({2-[(Dec-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
2-Decynoyl-CoA · Reaxys ID: 25846348 · dec-2-ynoyl-coenzyme A · Coenzyme A, S-2-decynoate (9CI)
![Molekülstruktur von 9-{5-O-[{[(4-{[3-({2-[(Dec-2-ynoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine](/img/chemical/194713.png)
Identifikatoren & physikalische Daten
| CAS No. | 105528-05-0 |
|---|---|
| Summenformel | C31H50N7O17P3S |
| Durchschnittliche Molmasse | 917,762 g/mol |
| Monoisotopische Masse | 917,21967403 g/mol |
| SMILES | CCCCCCCC#CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 |
| InChIKey | CEGGBBHEUBHATI-HSJNEKGZSA-N |
| PubChem CID | 194713 |
| DTXSID | DTXSID80909582 |
Chemische & physikalische Eigenschaften
| Dichte | 1.65±0.1 g/cm3(Predicted) |
|---|---|
| pKa (Säurekonstante) | 1.16±0.50(Predicted) |