Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
beraprost
Beraprost Impurity 2 Sodium Salt · 1H-Cyclopenta[b]benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-[(1E,3R)-3-hydroxy-4-methyl-1-octen-6-ynyl]-, (1R,2R,3aS,8bS)-rel- · 1H-Cyclopenta[b]benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-[(1E,3R)-3-hydroxy-4-methyl-1-octen-6-ynyl]-, (1R,2R,3aS,8bS)-rel- (9CI)
식별자 및 물리적 특성
| CAS No. | 223556-33-0 |
|---|---|
| 분자식 | C24H30O5 |
| 평균 분자량 | 398.49 g/mol |
| SMILES | CC#CCC(C)[C@@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O |
| InChIKey | CTPOHARTNNSRSR-YHCAXTHDSA-N |
화학 및 물리적 성질
| 끓는 점 | 572.1±50.0 °C(Predicted) |
|---|---|
| 밀도 | 1.254±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 4.76±0.10(Predicted) |