2-Tetradecylglycidylcarnitine

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Basic information

CAS: 105201-53-4
Standard SMILES: CCCCCCCCCCCCCC[C@]1(COC(CC(=O)[O-])C[N+](C)(C)C)CO1
InChIKey: HQZALNBQBXUBIQ-GITCGBDTSA-N
Molecular formula: C24H47NO4
Average molar mass: 413.6 g/mol
Monoisotopic mass: 413.35050898

Names & identifiers

Preferred name: 2-Tetradecylglycidylcarnitine
IUPAC: 3-[[(2R)-2-tetradecyloxiran-2-yl]methoxy]-4-(trimethylazaniumyl)butanoate
English name: 2-tetradecylglycidylcarnitine
Molecular weight: 0

Names & synonyms

2-TetradecylglycidylcarnitineTdga-carnitine105201-53-4RefChem:894283-[[(2R)-2-tetradecyloxiran-2-yl]methoxy]-4-(trimethylazaniumyl)butanoate3-{[(2R)-2-Tetradecyloxiran-2-yl]methoxy}-4-(trimethylazaniumyl)butanoateDTXSID709093793-[(2-Tetradecyloxiran-2-yl)methoxy]-4-(trimethylazaniumyl)butanoate

Database identifiers

CAS: 105201-53-4
PubChem CID: 196388
DTXSID: DTXSID70909379

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 61.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 19
Heavy atoms: 29
Formal charge: 0
Complexity: 430

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Compound notes

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