[Synonyms]
13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid
Canonical SMILES: CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O
InChI: InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-
5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/f/h24H
13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 352.46508 [g/mol] |
| Molecular Formula | C20H32O5 |
| XLogP | 3 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 13 |
| Tautomer Count | 21 |
| Exact Mass | 352.224974 |
| MonoIsotopic Mass | 352.224974 |
| Topological Polar Surface Area | 91.7 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 469 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 3 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid
Canonical SMILES: CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O
InChI: InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-
5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/f/h24H
