15-(4-Iodophenyl)-3,3-dimethylpentadecanoic acid
Basic information
- CAS
104426-56-4- Standard SMILES
CC(C)(CCCCCCCCCCCCc1ccc([123I])cc1)CC(=O)O- InChIKey
COJKCRQZSGYQAF-JNYMONNXSA-N- Molecular formula
- C23H37IO2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.18495
Overview
labeled with 123I for myocardial imaging; structure given in first source
Names & identifiers
- Preferred name
- 15-(4-Iodophenyl)-3,3-dimethylpentadecanoic acid
- IUPAC
- 15-(4-iodophenyl)-3,3-dimethylpentadecanoic acid
- English name
- 15-(4-iodophenyl)-3,3-dimethylpentadecanoic acid
- Molecular weight
- 0
Names & synonyms
DMIPP15-(4-Iodophenyl)-3,3-dimethylpentadecanoic acid104426-56-4RefChem:908166DTXSID3090896915-(4-(123I)iodanylphenyl)-3,3-dimethylpentadecanoic acidMOLI00083415-[4-(~123~I)Iodophenyl]-3,3-dimethylpentadecanoic acidBenzenepentadecanoic acid, 4-(iodo-123I)-beta,beta-dimethyl-
Database identifiers
- CAS
104426-56-4- PubChem CID
- 128573
- DTXSID
DTXSID30908969
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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