Dataset

beta Glucosamine Hydrochloride.cosy

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m1/s1
SMILES N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChI Key MSWZFWKMSRAUBD-FPRJBGLDSA-N
Molecular Formula C6H13NO5
Exact Mass 179.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s236.d1357
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1357
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (2R,3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001

    Temperature : 298 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 2 scans

    nuclear magnetic resonance pulse sequence : cosygpqf

    Spectral Width : [4.00687505584003, 4.00014404422715]

    number of data points : 3 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    7048679 PubChem
    SCHEMBL17038901 SureChEMBL
    ZINC000003830887 ZINC
    The data in this table is sourced from UniChem at EBI.