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1-[18F]fluoro-3,6-dioxatetracosane

PubChem CID
25210292
Structure
1-[18F]fluoro-3,6-dioxatetracosane_small.png
Molecular Formula
Synonyms
  • 1-[18F]fluoro-3,6-dioxatetracosane
  • [18F]SteP2
  • 1-[2-(2-(18F)fluoranylethoxy)ethoxy]nonadecane
Molecular Weight
373.6 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2009-04-06
  • Modify:
    2024-12-06

1 Structures

1.1 2D Structure

Chemical Structure Depiction
1-[18F]fluoro-3,6-dioxatetracosane.png

1.2 3D Status

Conformer generation is disallowed since too flexible

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-(2-(18F)fluoranylethoxy)ethoxy]nonadecane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

2.1.2 InChI

InChI=1S/C23H47FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-22-23-26-21-19-24/h2-23H2,1H3/i24-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.3 InChIKey

CNKMSGUIJSSDCZ-MIGPCILRSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.4 SMILES

CCCCCCCCCCCCCCCCCCCOCCOCC[18F]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)

2.2 Molecular Formula

C23H47FO2
Computed by PubChem 2.1 (PubChem release 2019.06.18)

2.3 Other Identifiers

2.3.1 Wikidata

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • (18F)SteP2
  • 1-(18F)fluoro-3,6-dioxatetracosane

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
373.6 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
9.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
23
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
373.358543 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
373.358543 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
18.5Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
236
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)

5 Chemical Vendors

6 Literature

6.1 Consolidated References

6.2 NLM Curated PubMed Citations

6.3 Chemical-Disease Co-Occurrences in Literature

7 Patents

7.1 Depositor-Supplied Patent Identifiers

7.2 Chemical Co-Occurrences in Patents

7.3 Chemical-Disease Co-Occurrences in Patents

8 Interactions and Pathways

8.1 Molecular Imaging Information

8.1.1 MICAD Imaging Information

Abbreviated name
[18F]SteP2
Agent Category
Compound
Target
Liposomes
Target Category
Non-targeted
Method of detection
Positron emission tomography (PET)
Source of signal
18F
Activation
No
Studies
In vitro; Rodents;
Use Classification
Imaging agents

9 Classification

9.1 MeSH Tree

10 Information Sources

  1. Molecular Imaging and Contrast Agent Database (MICAD)
    1-[18F]Fluoro-3,6-dioxatetracosane
    http://www.ncbi.nlm.nih.gov/books/NBK23564
  2. Wikidata
    1-[2-(2-(18F)fluoranylethoxy)ethoxy]nonadecane
    https://www.wikidata.org/wiki/Q76513314
  3. PubChem
  4. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
    1-(18F)fluoro-3,6-dioxatetracosane
    https://www.ncbi.nlm.nih.gov/mesh/67556639
CONTENTS