Basic information
- CAS
90047-61-3- Standard SMILES
I/C=C/CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
UXGQHCZOZATBIL-YLFUTEQJSA-M- Molecular formula
- C23H23IP+
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 457.05821
Overview
potential myocardial perfusion agent; RN & structure given in first source; RN given refers to unlabeled cpd (E)-isomer iodide
Names & identifiers
- Preferred name
- (1-Iodo-1-penten-5-yl)triphenylphosphonium
- IUPAC
- [(E)-5-iodopent-4-enyl]-triphenylphosphanium
- English name
- (1-iodo-1-penten-5-yl)triphenylphosphonium
- Molecular formula
- C23H23I2P
- Molecular weight
- 584.22
Names & synonyms
Ipytpp90047-61-3(1-Iodo-1-penten-5-yl)triphenylphosphoniumE-(1-(123I)-Iodo-1-penten-5-yl)triphenylphosphonium iodideRefChem:68129[(E)-5-iodopent-4-enyl]-triphenylphosphaniumCHEMBL1184539
Database identifiers
- CAS
90047-61-3- PubChem CID
- 6366178
- ChEMBL
CHEMBL1184539
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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