Basic information
- CAS
66719-58-2- Standard SMILES
CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC- InChIKey
RZWIIPASKMUIAC-VQTJNVASSA-N- Molecular formula
- C20H40O
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.3079159
Names & identifiers
- Preferred name
- Thromboxane
- IUPAC
- (2R,3S)-3-heptyl-2-octyloxane
- English name
- (2R,3S)-3-heptyl-2-octyl-oxane
- Molecular formula
- C20H40O
- Molecular weight
- 296.53
Names & synonyms
ThromboxaneThromboxanes(2R,3S)-3-heptyl-2-octyloxane66719-58-2PLB95F606QDTXSID30867244RefChem:203294CHEBI:26995DTXCID501333887UNII-PLB95F606QSCHEMBL3691(2R,3S)-3-Heptyltetrahydro-2-octyl-2H-pyran
Show more names
(2R,3S)-3-heptyl-2-octyl-oxane
HOMO-11A-OXAPROSTANERZWIIPASKMUIAC-VQTJNVASSA-NLMFA03030015NS001252042H-Pyran, 3-heptyltetrahydro-2-octyl-, (2R,3S)-Q27286618(2R-TRANS)-3-HEPTYLTETRAHYDRO-2-OCTYL-2H-PYRAN
Database identifiers
- CAS
66719-58-2- PubChem CID
- 114873
- DTXSID
DTXSID30867244- UNII
- PLB95F606Q
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 95 F606Q · PLB95F606Q
Chemistry & industry
Pharmacology
Tissue LocationsFibroblasts；Kidney；Lung；Neuron；Placenta；Platelet；Skeletal Muscle；Smooth Muscle；Spleen
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Suppliers1 total
Triveni chemicals[email protected]
Related reactions
3 records
Compound notes
Loading…