| CAS Number | 54432-43-8 |
| Catalog Number | AG00DA97(AGN-PC-0SH5BC) |
| Chemical Name | 3-methoxy Prostaglandin F1α |
| IUPAC Name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-3-methoxyheptanoic acid |
| InChI | InChI=1S/C21H38O6/c1-3-4-5-8-15(22)11-12-18-17(19(23)14-20(18)24)10-7-6-9-16(27-2)13-21(25)26/h11-12,15-20,22-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16?,17+,18+,19-,20+/m0/s1 |
| InChI Key | UBKBNBIEPZZFBF-XZFPMTPLSA-N |
| MDL Number | MFCD02259331 |
| Molecular Formula | C21H38O6 |
| Molecular Weight | 386.5228 |
| SMILES | O[C@@H]1[C@H](CCCCC(OC)CC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1 |
| Synonyms | 3-methoxy Prostaglandin F1alpha,
54432-43-8,
HMS3648L03,
1388AH,
SR-01000946443,
SR-01000946443-1,
C21H38O6,
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| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 386.267g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.529g/mol |
| Monoisotopic Mass | 386.267g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number