| CAS Number | 69685-22-9 |
| Catalog Number | AG00FBI3(AGN-PC-0TWFVK) |
| Chemical Name | Cyclopentaneheptanoic acid,3-hydroxy-2-[(1E,4S)-4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl]-5-oxo-,methyl ester, (1R,2R,3R)- |
| IUPAC Name | methyl 7-[3-hydroxy-2-[4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate |
| InChI | InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3 |
| InChI Key | XRISENIKJUKIHD-UHFFFAOYSA-N |
| MDL Number | MFCD00867055 |
| Molecular Formula | C24H40O5 |
| Molecular Weight | 408.5714 |
| SMILES | O=C1[C@H](CCCCCCC(OC)=O)[C@@H](/C=C/C[C@H](O)C2(CCC2)CCC)C(O)C1 |
| Synonyms | 69685-22-9,
Butaprost,
(R)-Butaprost,
69648-38-0,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.579g/mol |
| Monoisotopic Mass | 408.288g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number