Basic information
- CAS
73543-47-2- Standard SMILES
CCCCC[C@@H](O)/C=C/[C@@H]1CC2CC(C2)[C@H]1C/C=C\CCCC(=O)O- InChIKey
ZIWNJZLXPXFNGN-WZVVFKISSA-N- Molecular formula
- C22H36O3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.26644501
Names & identifiers
- Preferred name
- 2beta-(Z),3alpha-(1E,3R)-3-(3-Hydroxy-(1-octenyl)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid
- IUPAC
- (Z)-7-[(2R,3S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
- English name
- thromboxane A2, carbocyclic
- Molecular formula
- C22H36O3
- Molecular weight
- 348.52
Names & synonyms
Carbocyclic thromboxane A22beta-(Z),3alpha-(1E,3R)-3-(3-Hydroxy-(1-octenyl)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid74034-56-3(Z)-7-[(2R,3S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acidZIWNJZLXPXFNGN-GXTQQWMXSA-Nthromboxane A2, carbocyclic5-Heptenoic acid, 7-[(2R,3S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl]-, (5Z)-rel-
Database identifiers
- CAS
73543-47-2- PubChem CID
- 6438366
- Nikkaji
- J473.355J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 500 · 500.0±25.0 °C(Predicted)
- Density
- 1.056 · 1.056±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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