(+)(-)-8,12-trans-9-Oxo-prosta-5,14-dienoic acid
Basic information
- CAS
142666-04-4- Standard SMILES
CCCCC/C=C/C[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
NWFUQBWWNMLSID-OZVPIJNCSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
structure given in first source
Names & identifiers
- Preferred name
- (+)(-)-8,12-trans-9-Oxo-prosta-5,14-dienoic acid
- IUPAC
- (Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxocyclopentyl]hept-5-enoic acid
- English name
- (+)(-)-8,12-trans-9-oxo-prosta-5,14-dienoic acid
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
142666-04-4(+)(-)-8,12-trans-9-Oxo-prosta-5,14-dienoic acidRefChem:671248,12-Opa(Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxocyclopentyl]hept-5-enoic acid8,12-trans-(5Z-14Z)-9-Oxo-prosta-5,14-dienoic acidProsta-5,14-dien-1-oic acid, 9-oxo-, (5Z,14E)-(±)- (9CI)
Database identifiers
- CAS
142666-04-4- PubChem CID
- 6444249
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 465.4 · 465.4±20.0 °C(Predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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