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(2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
SpectraBase Compound ID 4vL46Dqsidw
InChI InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
InChIKey WACJCHFWJNNBPR-ZETCQYMHSA-N
Mol Weight 320.24 g/mol
Molecular Formula C11H17N2O7P
Exact Mass 320.077338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81ZKjZO2icA
Name (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
CAS Registry Number 14942-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N2O7P
InChI InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
InChIKey WACJCHFWJNNBPR-ZETCQYMHSA-N
Molecular Weight 320.238 g/mol
SMILES Oc1c(c(COP(=O)(O)O)cnc1C)CN[C@](C(=O)O)(C)[H]
SPLASH splash10-004i-0900000000-a29cd6eb1e0cfa2ca9b5
Source of Spectrum B-38-305-1
Synonyms (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoic acid (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propionic acid (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
Wiley ID 1319657