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methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate
17,20-Dimethyl-6-oxo-pge1 me ester · 17,20-Dimethyl-6-oxo-prostaglandin E1 methyl ester · Prost-13-en-1-oic acid, 11,15-dihydroxy-17,20-dimethyl-6,9-dioxo-, methyl ester, (11alpha,13E,15R,17S)- · Cyclopentaneheptanoic acid, 3-hydroxy-2-[(1E,3R,5S)-3-hydroxy-5-methyl-1-nonenyl]-ε,5-dioxo-, methyl ester, (1R,2R,3R)- (9CI)
![Molekülstruktur von methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate](/img/chemical/6439714.png)
Identifikatoren & physikalische Daten
| CAS No. | 85679-51-2 |
|---|---|
| Summenformel | C23H38O6 |
| Durchschnittliche Molmasse | 410,5 g/mol |
| SMILES | CCCC[C@H](C)C[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC |
| InChIKey | BBRBUTFBTUFFBU-VZZCMBKRSA-N |
| PubChem CID | 6439714 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 556 |
| Siedepunkt | 549.8±50.0 °C(Predicted) |
| Dichte | 1.112±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.66±0.60(Predicted) |