Dataset

492-62-6[noesy.ser.dx]

492-62-6

Chemical Information

molecular Image
InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
SMILES OCC1OC(O)C(O)C(O)C1O
InChI Key WQZGKKKJIJFFOK-UHFFFAOYSA-N
Molecular Formula C6H12O6
Exact Mass 180.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s58.d252
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D252
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
    • Field Value
    Measurement Technique noesy
    Measurement Variables
    NMR solvent : DMSO

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003

    Temperature : 298 K

    magnetic field strength : 14.096654402599738 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : noesygpph

    Spectral Width : [3.76946518050705, 3.76946464122321]

    number of data points : [2048, 256] points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:167473 chebi
    34307 surechembl
    206 pubchem
    4536 gtopdb
    4646 gtopdb
    4650 gtopdb
    PD055411 probes_and_drugs
    ADGALA CCDC
    16531 brenda
    169985 brenda
    172499 brenda
    17663 brenda
    20942 brenda
    44225 brenda
    HMDB0250761 hmdb
    Molport-001-780-232 molport
    The data in this table is sourced from UniChem at EBI.