Prostaglandin J2

Chemical Information
Prostaglandin J2 is a member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer). It has a role as a human metabolite. It is functionally related to a prostaglandin D2. It is a conjugate acid of a prostaglandin J2(1-).
| CAS Number | 60203-57-8 |
| PubChem CID | 5280884 |
| IUPAC Name | (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.4 |
| XLogP | 3.6 |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| Property | Value |
|---|---|
| Molecular Weight | 334.4 |
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 334.21440943 |
| Monoisotopic Mass | 334.21440943 |
| Topological Polar Surface Area | 74.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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