HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
pppGpp · Guanosine Pentaphosphate · Guanosine 3'-diphosphate,5'-triphosphate · Guanosine-3'-diphosphate-5'-triphosphate · Guanosine 5'-triphosphoric acid 3'-diphosphoric acid · Guanosine 3'-diphosphoric acid 5'-triphosphoric acid · Guanosine-3'-diphosphate-5'-triphosphate, Lithium salt · Guanosine 5'-(tetrahydrogen triphosphate), 3'-(trihydrogen diphosphate)
![Molekülstruktur von [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate](/img/chemical/38166.png)
Identifikatoren & physikalische Daten
| CAS No. | 38918-96-6 |
|---|---|
| Summenformel | C10H18N5O20P5 |
| Durchschnittliche Molmasse | 683,14 g/mol |
| Monoisotopische Masse | 682,92332297 g/mol |
| SMILES | Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H]3O)c2[nH]1 |
| InChIKey | KCPMACXZAITQAX-UUOKFMHZSA-N |
| PubChem CID | 38166 |
| DTXSID | DTXSID20192193 |
Chemische & physikalische Eigenschaften
| XLogP | -8,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 388 |
| H-Brücken-Donoren | 10 |
| H-Brücken-Akzeptoren | 21 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 1.270 |
| Dichte | 2.94±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 0.97±0.50(Predicted) |