methyl 7-[(1R,2R,3R,5S)-5-acetoxy-2-((E)-4,4-difluoro-3-oxo-4-phenyl-1-butenyl)-3-(2-tetrahydropyranyloxy)cyclopentyl]heptanate
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Basic information
- Standard SMILES
COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/C(=O)C(F)(F)c2ccccc2)[C@H](OC2CCCCO2)C[C@@H]1OC(C)=O- InChIKey
JFUVHOKBLSXZBN-YFGIZIHFSA-N- Molecular formula
- C30H40F2O7
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.27420993
Names & identifiers
- Preferred name
- methyl 7-[(1R,2R,3R,5S)-5-acetoxy-2-((E)-4,4-difluoro-3-oxo-4-phenyl-1-butenyl)-3-(2-tetrahydropyranyloxy)cyclopentyl]heptanate
- IUPAC
- methyl 7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(E)-4,4-difluoro-3-oxo-4-phenylbut-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]heptanoate
Names & synonyms
methyl 7-[(1R,2R,3R,5S)-5-acetoxy-2-((E)-4,4-difluoro-3-oxo-4-phenyl-1-butenyl)-3-(2-tetrahydropyranyloxy)cyclopentyl]heptanateSCHEMBL3021100
Database identifiers
- PubChem CID
- 59514701
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 824
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Related reactions
4 records
Compound notes
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