13,14-Dehydroprostaglandin I2 methyl ester
methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
Also Known As: Methyl 13,14-dehydro pgx|Methyl 13,14-dehydro pgi2|13,14-Dehydro pgi2 methyl ester|13,14-Dehydro-pgi2 methyl ester|13,14-Dehydro pgx methyl ester|13,14-Dehydroprostaglandin I2 methyl ester|13,14-Dehydroprostacyclin methyl ester|methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate|Prost-5-en-13-yn-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, methyl ester, (5Z,9alpha,11alpha,15S)-|prost-5-en-13-yn-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, methyl ester, (5Z,9 alpha,11 alpha,15S)-
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22498 g/mol |
| LogP | 2.9441 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.22498 |
| Monoisotopic Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 544.34 |
Chemical Identifiers
| CAS Number | 64079-44-3 |
|---|---|
| SMILES | CCCCC[C@@H](C#C[C@H]1[C@@H](C[C@@H]2[C@@H]1C/C(=C/CCCC(=O)OC)/O2)O)O |
Product Overview
13,14-Dehydroprostaglandin I2 methyl ester (CAS 64079-44-3), with molecular formula C21H32O5 and molecular weight 364.22498 g/mol. IUPAC: methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate.
13,14-Dehydroprostaglandin I2 methyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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