Basic information
- CAS
41574-88-3- Standard SMILES
CCCCC[C@@H](O)C#C[C@@H]1CCC[C@H]1OCCCCCC(=O)O- InChIKey
KSCPBNFJJYRVRG-RCCFBDPRSA-N- Molecular formula
- C19H32O4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.2300595
Names & identifiers
- Preferred name
- Oxa prostynoic acid
- IUPAC
- 6-[(1R,2S)-2-[(3R)-3-hydroxyoct-1-ynyl]cyclopentyl]oxyhexanoic acid
Names & synonyms
41574-88-3Oxa prostynoic acidHexanoic acid, 6-((2-(3-hydroxy-1-octynyl)cyclopentyl)oxy)-, (1alpha,2beta(R*))-(+-)-7-Oxaprostynoic acidDTXSID201944156-({(1R,2S)-2-[(3R)-3-Hydroxyoct-1-yn-1-yl]cyclopentyl}oxy)hexanoic acid
Database identifiers
- CAS
41574-88-3- PubChem CID
- 3036271
- DTXSID
DTXSID20194415
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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