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Methyl N-acetyl-alpha-D-glucosaminide
SpectraBase Compound ID 3jPv7sbl0zt
InChI InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
InChIKey ZEVOCXOZYFLVKN-OKNNCHMLSA-N
Mol Weight 235.24 g/mol
Molecular Formula C9H17NO6
Exact Mass 235.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gqyq1vEbXgI
Name Methyl N-acetyl-alpha-D-glucosaminide
Acquisition Mode SIMULTANEOUS
CAS Registry Number 6082-04-8
Comments 100 mM Methyl N-acetyl-alpha-D-glucosaminide - vendor: Sigma 094K1696; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9H17NO6
IUPAC Name N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]acetamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide
InChI InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
InChIKey ZEVOCXOZYFLVKN-OKNNCHMLSA-N
PubChem Compound ID 96523
SMILES CC(=O)NC1C(C(C(OC1OC)CO)O)O
Source File Reference bmse000196