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Tetrofosmin

C18H40O4P2 — CID 4274

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane
SMILESCCOCCP(CCOCC)CCP(CCOCC)CCOCC
InChIInChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3
InChIKeyQCWJONLQSHEGEJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.10
Rot. Bonds19

About Tetrofosmin

Tetrofosmin (PubChem CID 4274) has the molecular formula C18H40O4P2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane.

Molecular Properties

Compound NameTetrofosmin
PubChem CID4274
Molecular FormulaC18H40O4P2
Molecular Weight382.46 g/mol
Exact Mass382.24
IUPAC Name2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane
SMILESCCOCCP(CCOCC)CCP(CCOCC)CCOCC
InChIInChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3
InChIKeyQCWJONLQSHEGEJ-UHFFFAOYSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Ditert-butyl-[2-(2-ditert-butylphosphanylethoxy)ethyl]phosphane
CID 58194749
bis(2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane);dioxo(99Tc)technetium-99(1+)
CID 11686616
6,9-Bis(3-methoxypropyl)-2,13-dioxa-6,9-diphosphatetradecane
CID 6396038
2-[2-Di(propan-2-yl)phosphanylethoxy]ethyl-di(propan-2-yl)phosphane
CID 58194797
Bis[bis(2-ethoxyethyl)phosphino]ethane
CID 118280334
Dibutyl-[2-[2-(2-dibutylphosphanylethoxy)ethoxy]ethyl]phosphane
CID 18320878
2-[Bis(2-methoxypropyl)phosphanyl]ethyl-bis(2-methoxypropyl)phosphane
CID 18347867
Tris(1-ethoxybutyl)phosphane
CID 18386504
Tris(3-ethoxypropyl)phosphane
CID 18462465

Frequently Asked Questions

What is the IUPAC name of Tetrofosmin?
The IUPAC name of Tetrofosmin (CID 4274) is 2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane.
What is the SMILES notation for Tetrofosmin?
The canonical SMILES for Tetrofosmin is CCOCCP(CCOCC)CCP(CCOCC)CCOCC.
What is the InChIKey of Tetrofosmin?
The InChIKey is QCWJONLQSHEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3.
What are the key properties of Tetrofosmin?
Tetrofosmin has a molecular weight of 382.46 g/mol, XLogP of 4.10, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrofosmin is sourced from PubChem (CID 4274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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