4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
Basic information
- CAS
96087-34-2- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC2OC2CCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
CGDKFPFJMQMWAN-QJGGUCLTSA-N- Molecular formula
- C20H34O6
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.2355388
Names & identifiers
- Preferred name
- 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
- IUPAC
- 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
- English name
- 5(6)-epoxyprostaglandin F1 alpha
- Molecular formula
- C20H34O6
- Molecular weight
- 370.49
Names & synonyms
5(6)-Epoxyprostaglandin F1alpha96087-34-25(6)Epoxy-PGF1alpha4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acidProst-13-en-1-oic acid, 5,6-epoxy-9,11,15-trihydroxy-, (9alpha,11alpha,13E,15S)-5(6)-epoxyprostaglandin F1 alphaProst-13-en-1-oic acid, 5,6-epoxy-9,11,15-trihydroxy-, (9α,11α,13E,15S)- (9CI)
Database identifiers
- CAS
96087-34-2- PubChem CID
- 6438652
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 553.5 · 553.5±50.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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