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3-[(2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)piperidin-1-yl]propanoic acid
SpectraBase Compound ID GvjsBY1Ry9V
InChI InChI=1S/C9H17NO6/c11-4-5-8(15)9(16)6(12)3-10(5)2-1-7(13)14/h5-6,8-9,11-12,15-16H,1-4H2,(H,13,14)/t5-,6+,8-,9-/m1/s1
InChIKey PCGAKBVRSMMXCR-HSLWUYEYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C9H17NO6
Exact Mass 235.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xmLqFFkDji
Name 3-[(2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)piperidin-1-yl]propanoic acid
Alternate Name(s) 3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]propanoic acid 3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidyl]propanoic acid 3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid 3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylol-piperidino]propionic acid
CAS Registry Number 78013-18-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO6
InChI InChI=1S/C9H17NO6/c11-4-5-8(15)9(16)6(12)3-10(5)2-1-7(13)14/h5-6,8-9,11-12,15-16H,1-4H2,(H,13,14)/t5-,6+,8-,9-/m1/s1
InChIKey PCGAKBVRSMMXCR-HSLWUYEYSA-N
Molecular Weight 235.236 g/mol
SMILES O[C@]1([C@@]([C@](CN([C@@]1(CO)[H])CCC(=O)O)(O)[H])(O)[H])[H]
SPLASH splash10-1003-4960000000-ab85f3d32905bdec1361
Source of Spectrum O-19-178-4
Wiley ID 1236862