17-(3-Pyridyl)-18,19,20-trinorprostaglandin F2alpha
Basic information
- CAS
137600-06-7- Standard SMILES
O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(O)CCc2cccnc2)[C@H](O)C[C@@H]1O- InChIKey
GJGJMDFCWXKHDY-ZTCDKBKRSA-N- Molecular formula
- C22H31NO5
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.22022309
Names & identifiers
- Preferred name
- 17-(3-Pyridyl)-18,19,20-trinorprostaglandin F2alpha
- IUPAC
- (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-pyridin-3-ylpent-1-enyl]cyclopentyl]hept-5-enoic acid
Names & synonyms
137600-06-717-(3-Pyridyl)-18,19,20-trinorprostaglandin F2alpha5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-(3-pyridinyl)-1-pentenyl)cyclopentyl)-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-
Database identifiers
- CAS
137600-06-7- PubChem CID
- 6442292
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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