5,6-Methanoleukotriene A4
Basic information
- CAS
83213-62-1- Standard SMILES
CCCCC/C=C/C/C=C/C=C/C=C/C1CC1CCCC(=O)O- InChIKey
QQHGNGMKCHAGCP-UHFFFAOYSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Overview
stable analog of leukotriene A4; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 5,6-Methanoleukotriene A4
- IUPAC
- 4-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acid
- English name
- Cyclopropanebutanoic acid, 2-(1,3,5,8-tetradecatetraenyl)-
- Molecular formula
- C21H32O2
- Molecular weight
- 316.48
Names & synonyms
5,6-Methanoleukotriene A483213-62-1Cyclopropanebutanoic acid, 2-(1,3,5,8-tetradecatetraenyl)-RefChem:1012294-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acidReaxys ID: 5753917Cyclopropanebutanoic acid, 2-(1,3,5,8-tetradecatetraen-1-yl)-
Database identifiers
- CAS
83213-62-1- PubChem CID
- 6439643
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 462.1 · 462.1±14.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…