[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium
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![[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/85ba62cdc9da4788bfe803762df4c8e0.png "[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium")
[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium
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CAS No:
44985-79-7
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Formula:
C7H16NO3+
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Chemical Name:
[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium
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Synonyms:
(S)-carnitinium;(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium;carnitine-(D/L);SCHEMBL13034193;CHEBI:51453;ZINC154729;AKOS015960772;41C151;Q27122612;(S)-3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium;44985-79-7
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CAS No:
Description
(S)-carnitinium is a carnitinium that is the conjugate acid of (S)-carnitine. It has a role as a human metabolite and a mouse metabolite. It is a conjugate acid of a (S)-carnitine. It is an enantiomer of a (R)-carnitinium.
Computed Properties
Molecular Weight:162.21
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:162.11301837
Monoisotopic Mass:162.11301837
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Formal Charge:1
Complexity:139
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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