16-Methyl PGE2
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Also Known As: 16-Methyl PGE2|16-Methyl prostaglandin E2|7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid|Prosta-5,13-dien-1-oicacid, 11,15-dihydroxy-16-methyl-9-oxo-, (5Z,11a,13E,15S)- (9CI)
CAS: 39746-14-0
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24063 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 366.24063 |
| Monoisotopic Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 39746-14-0 |
|---|---|
| SMILES | CCCCC(C)[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O |
| InChIKey | IMPVDANDCDGWFM-SCWSVTQASA-N |
Product Overview
16-Methyl PGE2 (CAS 39746-14-0), with molecular formula C21H34O5 and molecular weight 366.24063 g/mol. IUPAC: 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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